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Showing metabocard for Sulfaguanidine (HMDB0258573)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 20:12:41 UTC
Update Date2021-09-26 23:15:34 UTC
HMDB IDHMDB0258573
Secondary Accession NumbersNone
Metabolite Identification
Common NameSulfaguanidine
DescriptionSulfaguanidine, also known as sulfaguanil or sulphaguanidinum, belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Based on a literature review a significant number of articles have been published on Sulfaguanidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Sulfaguanidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Sulfaguanidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0258573 (Sulfaguanidine)


  Mrv1572004191602192D          

 14 14  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
Download

3D MOL for HMDB0258573 (Sulfaguanidine)

HMDB0258573
     RDKit          3D
Sulfaguanidine
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.8116    0.0006    0.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.1557   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    1.4848   -0.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3676   -0.9321   -1.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786   -1.8875   -0.4592 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.7309   -3.0130   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -2.3865    0.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8680   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159   -0.2385    0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020    0.5705    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    0.7385    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491    1.5637    0.5172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934    0.1192   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -0.6830   -1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102   -0.9253    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    2.2536   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    1.6860   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -1.1535   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   -0.3932    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    1.0459    2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    2.3522    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.4511    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    0.2479   -1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444   -1.1891   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 14 24  1  0
M  END
Download

3D SDF for HMDB0258573 (Sulfaguanidine)


  Mrv1572004191602192D          

 14 14  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258573

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

> <INCHI_KEY>
BRBKOPJOKNSWSG-UHFFFAOYSA-N

> <FORMULA>
C7H10N4O2S

> <MOLECULAR_WEIGHT>
214.24

> <EXACT_MASS>
214.052446752

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
19.87419760659076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(4-aminobenzenesulfonyl)guanidine

> <ALOGPS_LOGP>
-0.55

> <JCHEM_LOGP>
-0.5247584163333333

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.532590597603436

> <JCHEM_PKA_STRONGEST_BASIC>
7.720327438886685

> <JCHEM_POLAR_SURFACE_AREA>
122.06

> <JCHEM_REFRACTIVITY>
63.753

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aterian

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0258573 (Sulfaguanidine)

HMDB0258573
     RDKit          3D
Sulfaguanidine
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.8116    0.0006    0.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.1557   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    1.4848   -0.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3676   -0.9321   -1.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786   -1.8875   -0.4592 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.7309   -3.0130   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -2.3865    0.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8680   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159   -0.2385    0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020    0.5705    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    0.7385    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491    1.5637    0.5172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934    0.1192   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -0.6830   -1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102   -0.9253    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    2.2536   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    1.6860   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -1.1535   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   -0.3932    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    1.0459    2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    2.3522    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.4511    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    0.2479   -1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444   -1.1891   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 14 24  1  0
M  END
Download

PDB for HMDB0258573 (Sulfaguanidine)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       2.667   7.700   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       4.001   5.390   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       1.334   5.390   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       2.874   3.850   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -0.206   3.850   0.000  0.00  0.00           O+0
HETATM   14  S   UNK     0       1.334   3.850   0.000  0.00  0.00           S+0
CONECT    1    3    5                                                       
CONECT    2    4    5                                                       
CONECT    3    1    6                                                       
CONECT    4    2    6                                                       
CONECT    5    1    2    8                                                  
CONECT    6    3    4   14                                                  
CONECT    7    9   10   11                                                  
CONECT    8    5                                                            
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11    7   14                                                       
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14    6   11   12   13                                             
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END
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3D PDB for HMDB0258573 (Sulfaguanidine)

COMPND    HMDB0258573
HETATM    1  N1  UNL     1       3.812   0.001   0.539  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.890   0.156  -0.347  1.00  0.00           C  
HETATM    3  N2  UNL     1       2.392   1.485  -0.567  1.00  0.00           N  
HETATM    4  N3  UNL     1       2.368  -0.932  -1.094  1.00  0.00           N  
HETATM    5  S1  UNL     1       1.079  -1.888  -0.459  1.00  0.00           S  
HETATM    6  O1  UNL     1       0.731  -3.013  -1.362  1.00  0.00           O  
HETATM    7  O2  UNL     1       1.552  -2.387   0.899  1.00  0.00           O  
HETATM    8  C2  UNL     1      -0.346  -0.868  -0.212  1.00  0.00           C  
HETATM    9  C3  UNL     1      -0.516  -0.238   0.996  1.00  0.00           C  
HETATM   10  C4  UNL     1      -1.602   0.571   1.257  1.00  0.00           C  
HETATM   11  C5  UNL     1      -2.539   0.738   0.254  1.00  0.00           C  
HETATM   12  N4  UNL     1      -3.649   1.564   0.517  1.00  0.00           N  
HETATM   13  C6  UNL     1      -2.393   0.119  -0.967  1.00  0.00           C  
HETATM   14  C7  UNL     1      -1.290  -0.683  -1.187  1.00  0.00           C  
HETATM   15  H1  UNL     1       4.210  -0.925   0.744  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.059   2.254  -0.745  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.372   1.686  -0.549  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.765  -1.153  -2.030  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.243  -0.393   1.766  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.694   1.046   2.223  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.592   2.352   1.217  1.00  0.00           H  
HETATM   22  H8  UNL     1      -4.575   1.451   0.050  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.132   0.248  -1.767  1.00  0.00           H  
HETATM   24  H10 UNL     1      -1.144  -1.189  -2.146  1.00  0.00           H  
CONECT    1    2    2   15
CONECT    2    3    4
CONECT    3   16   17
CONECT    4    5   18
CONECT    5    6    6    7    7
CONECT    5    8
CONECT    8    9    9   14
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   13
CONECT   12   21   22
CONECT   13   14   14   23
CONECT   14   24
END
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SMILES for HMDB0258573 (Sulfaguanidine)

NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1
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INCHI for HMDB0258573 (Sulfaguanidine)

InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-(4-Aminophenyl)sulfonylguanidineChEBI
SulfaguanidinChEBI
SulfaguanidinaChEBI
SulfaguanidinumChEBI
SulfaguanilChEBI
SulfaguineChEBI
SulfanilguanidineChEBI
SulfanilylguanidineChEBI
SulfoguanidineChEBI
SulfoguanilChEBI
SulfoguanylChEBI
SulfoguenilChEBI
SulphaguanidineChEBI
2-(4-Aminophenyl)sulphonylguanidineGenerator
SulphaguanidinGenerator
SulphaguanidinaGenerator
SulphaguanidinumGenerator
SulphaguanilGenerator
SulphaguineGenerator
SulphanilguanidineGenerator
SulphanilylguanidineGenerator
SulphoguanidineGenerator
SulphoguanilGenerator
SulphoguanylGenerator
SulphoguenilGenerator
SulfaguanidineGenerator
GastroEntericanis biocaninaMeSH
veto CentreMeSH
gastro-Entericanis biocaninaMeSH
veto-CentreMeSH
gastro Entericanis biocaninaMeSH
N-(4-Aminobenzenesulphonyl)guanidineGenerator
Chemical FormulaC7H10N4O2S
Average Molecular Weight214.24
Monoisotopic Molecular Weight214.052446752
IUPAC NameN-(4-aminobenzenesulfonyl)guanidine
Traditional Nameaterian
CAS Registry NumberNot Available
SMILES
NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1
InChI Identifier
InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChI KeyBRBKOPJOKNSWSG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentBenzenesulfonamides
Alternative Parents
Substituents
  • Benzenesulfonamide
  • Benzenesulfonyl group
  • Aniline or substituted anilines
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Sulfonyl
  • Guanidine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Organosulfur compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.55ALOGPS
logP-0.52ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)10.53ChemAxon
pKa (Strongest Basic)7.72ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area122.06 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity63.75 m³·mol⁻¹ChemAxon
Polarizability19.87 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+149.86130932474
DeepCCS[M-H]-147.46530932474
DeepCCS[M-2H]-180.51730932474
DeepCCS[M+Na]+155.91330932474
AllCCS[M+H]+146.932859911
AllCCS[M+H-H2O]+143.032859911
AllCCS[M+NH4]+150.632859911
AllCCS[M+Na]+151.632859911
AllCCS[M-H]-141.832859911
AllCCS[M+Na-2H]-142.632859911
AllCCS[M+HCOO]-143.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SulfaguanidineNC(=N)NS(=O)(=O)C1=CC=C(N)C=C13713.8Standard polar33892256
SulfaguanidineNC(=N)NS(=O)(=O)C1=CC=C(N)C=C11968.9Standard non polar33892256
SulfaguanidineNC(=N)NS(=O)(=O)C1=CC=C(N)C=C12591.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sulfaguanidine,1TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C12611.9Semi standard non polar33892256
Sulfaguanidine,1TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C12297.1Standard non polar33892256
Sulfaguanidine,1TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C14226.0Standard polar33892256
Sulfaguanidine,1TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C12635.2Semi standard non polar33892256
Sulfaguanidine,1TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C12310.5Standard non polar33892256
Sulfaguanidine,1TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C14119.3Standard polar33892256
Sulfaguanidine,1TMS,isomer #3C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C12513.2Semi standard non polar33892256
Sulfaguanidine,1TMS,isomer #3C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C12245.2Standard non polar33892256
Sulfaguanidine,1TMS,isomer #3C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C14155.8Standard polar33892256
Sulfaguanidine,1TMS,isomer #4C[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C12479.3Semi standard non polar33892256
Sulfaguanidine,1TMS,isomer #4C[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C12198.0Standard non polar33892256
Sulfaguanidine,1TMS,isomer #4C[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C14248.8Standard polar33892256
Sulfaguanidine,2TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12771.6Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12419.3Standard non polar33892256
Sulfaguanidine,2TMS,isomer #1C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13808.7Standard polar33892256
Sulfaguanidine,2TMS,isomer #2C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C2669.9Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #2C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C2488.5Standard non polar33892256
Sulfaguanidine,2TMS,isomer #2C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C4001.4Standard polar33892256
Sulfaguanidine,2TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C12557.1Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C12267.7Standard non polar33892256
Sulfaguanidine,2TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C13960.5Standard polar33892256
Sulfaguanidine,2TMS,isomer #4C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12549.4Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #4C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12368.8Standard non polar33892256
Sulfaguanidine,2TMS,isomer #4C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13937.5Standard polar33892256
Sulfaguanidine,2TMS,isomer #5C[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C2601.2Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #5C[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C2386.7Standard non polar33892256
Sulfaguanidine,2TMS,isomer #5C[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C3944.4Standard polar33892256
Sulfaguanidine,2TMS,isomer #6C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C12583.4Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #6C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C12344.4Standard non polar33892256
Sulfaguanidine,2TMS,isomer #6C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C13811.6Standard polar33892256
Sulfaguanidine,2TMS,isomer #7C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12630.0Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #7C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12371.4Standard non polar33892256
Sulfaguanidine,2TMS,isomer #7C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13880.3Standard polar33892256
Sulfaguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12443.5Semi standard non polar33892256
Sulfaguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12295.4Standard non polar33892256
Sulfaguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C14045.4Standard polar33892256
Sulfaguanidine,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C=C12713.7Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C=C12619.7Standard non polar33892256
Sulfaguanidine,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C=C13486.5Standard polar33892256
Sulfaguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12531.0Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12411.4Standard non polar33892256
Sulfaguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13766.1Standard polar33892256
Sulfaguanidine,3TMS,isomer #2C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12638.5Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #2C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12379.9Standard non polar33892256
Sulfaguanidine,3TMS,isomer #2C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13586.0Standard polar33892256
Sulfaguanidine,3TMS,isomer #3C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12644.9Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #3C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12477.5Standard non polar33892256
Sulfaguanidine,3TMS,isomer #3C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13523.4Standard polar33892256
Sulfaguanidine,3TMS,isomer #4C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12657.7Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #4C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12469.5Standard non polar33892256
Sulfaguanidine,3TMS,isomer #4C[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13573.8Standard polar33892256
Sulfaguanidine,3TMS,isomer #5C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C)[Si](C)(C)C2561.9Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #5C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C)[Si](C)(C)C2522.8Standard non polar33892256
Sulfaguanidine,3TMS,isomer #5C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C)[Si](C)(C)C3651.7Standard polar33892256
Sulfaguanidine,3TMS,isomer #6C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C2532.1Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #6C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C2599.1Standard non polar33892256
Sulfaguanidine,3TMS,isomer #6C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C3750.3Standard polar33892256
Sulfaguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12452.6Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12400.4Standard non polar33892256
Sulfaguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13682.3Standard polar33892256
Sulfaguanidine,3TMS,isomer #8C[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C1)[Si](C)(C)C2481.5Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #8C[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C1)[Si](C)(C)C2465.2Standard non polar33892256
Sulfaguanidine,3TMS,isomer #8C[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C)C=C1)[Si](C)(C)C3694.2Standard polar33892256
Sulfaguanidine,3TMS,isomer #9C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12526.0Semi standard non polar33892256
Sulfaguanidine,3TMS,isomer #9C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12454.7Standard non polar33892256
Sulfaguanidine,3TMS,isomer #9C[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13763.1Standard polar33892256
Sulfaguanidine,4TMS,isomer #1C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C2659.7Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #1C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C2702.8Standard non polar33892256
Sulfaguanidine,4TMS,isomer #1C[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3324.0Standard polar33892256
Sulfaguanidine,4TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12626.3Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12717.1Standard non polar33892256
Sulfaguanidine,4TMS,isomer #2C[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13334.5Standard polar33892256
Sulfaguanidine,4TMS,isomer #3C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2601.8Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #3C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2640.7Standard non polar33892256
Sulfaguanidine,4TMS,isomer #3C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3227.7Standard polar33892256
Sulfaguanidine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12536.0Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12501.2Standard non polar33892256
Sulfaguanidine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C13287.7Standard polar33892256
Sulfaguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12533.3Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12439.8Standard non polar33892256
Sulfaguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13410.3Standard polar33892256
Sulfaguanidine,4TMS,isomer #6C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12582.5Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #6C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12587.0Standard non polar33892256
Sulfaguanidine,4TMS,isomer #6C[Si](C)(C)NC(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13388.3Standard polar33892256
Sulfaguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12461.5Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12676.4Standard non polar33892256
Sulfaguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13346.0Standard polar33892256
Sulfaguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12442.0Semi standard non polar33892256
Sulfaguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12541.2Standard non polar33892256
Sulfaguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13679.5Standard polar33892256
Sulfaguanidine,5TMS,isomer #1C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2577.9Semi standard non polar33892256
Sulfaguanidine,5TMS,isomer #1C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2732.7Standard non polar33892256
Sulfaguanidine,5TMS,isomer #1C[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3068.2Standard polar33892256
Sulfaguanidine,5TMS,isomer #2C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C2652.4Semi standard non polar33892256
Sulfaguanidine,5TMS,isomer #2C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C2850.3Standard non polar33892256
Sulfaguanidine,5TMS,isomer #2C[Si](C)(C)N(C(=N)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3203.0Standard polar33892256
Sulfaguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12552.3Semi standard non polar33892256
Sulfaguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12776.7Standard non polar33892256
Sulfaguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C)C=C12962.7Standard polar33892256
Sulfaguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12505.4Semi standard non polar33892256
Sulfaguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12625.3Standard non polar33892256
Sulfaguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C13151.1Standard polar33892256
Sulfaguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12607.1Semi standard non polar33892256
Sulfaguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12923.1Standard non polar33892256
Sulfaguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C12833.6Standard polar33892256
Sulfaguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C12881.3Semi standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C12531.6Standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N)C=C14142.6Standard polar33892256
Sulfaguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C12858.1Semi standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C12538.0Standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N)C=C14136.0Standard polar33892256
Sulfaguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C12751.6Semi standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C12455.0Standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N)C=C14165.2Standard polar33892256
Sulfaguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C12732.3Semi standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C12412.3Standard non polar33892256
Sulfaguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)N)S(=O)(=O)C1=CC=C(N)C=C14205.4Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13288.0Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C12872.9Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13742.2Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C3134.9Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C2901.2Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C3860.9Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C13060.6Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C12691.5Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N)C=C13852.5Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13054.3Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12821.8Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13874.1Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C(C)(C)C3039.0Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C(C)(C)C2799.7Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)NC(=N)N)C=C1)[Si](C)(C)C(C)(C)C3893.9Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C13134.2Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C12787.8Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C13842.0Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13135.6Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C12786.1Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13893.7Standard polar33892256
Sulfaguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12946.1Semi standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C12720.3Standard non polar33892256
Sulfaguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C14077.1Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13453.0Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13233.3Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13545.8Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13281.2Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13058.9Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13892.4Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13352.9Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C12997.1Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13579.7Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13424.6Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13150.6Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13610.9Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13370.6Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13097.3Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13607.8Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3206.2Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3153.3Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3614.5Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C3225.3Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C3253.6Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C3709.8Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13148.5Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13069.6Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13669.9Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3231.0Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3123.0Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(S(=O)(=O)N(C(=N)N)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3780.4Standard polar33892256
Sulfaguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13215.6Semi standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13047.7Standard non polar33892256
Sulfaguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13843.8Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3550.3Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3502.9Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3461.6Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13590.5Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13595.0Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(S(=O)(=O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13503.2Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3547.7Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3455.7Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3373.1Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13477.5Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13368.7Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13465.0Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13470.4Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13253.1Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13503.0Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13530.0Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13469.5Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13542.9Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13359.2Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13577.6Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N)C=C13478.7Standard polar33892256
Sulfaguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13405.2Semi standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13385.0Standard non polar33892256
Sulfaguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13879.1Standard polar33892256
Sulfaguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3707.2Semi standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3740.8Standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NS(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3273.7Standard polar33892256
Sulfaguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3736.7Semi standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3945.6Standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3395.6Standard polar33892256
Sulfaguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13720.4Semi standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13888.6Standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N[Si](C)(C)C(C)(C)C)C=C13266.8Standard polar33892256
Sulfaguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13633.9Semi standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13691.2Standard non polar33892256
Sulfaguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13399.1Standard polar33892256
Sulfaguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13919.1Semi standard non polar33892256
Sulfaguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14236.6Standard non polar33892256
Sulfaguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13212.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sulfaguanidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9310000000-8ce0f968980ecfc6fce02021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sulfaguanidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfaguanidine LC-ESI-QTOF , positive-QTOFsplash10-0a4i-1900000000-95dc6d24a8e97c5bb4322017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfaguanidine -1V, Positive-QTOFsplash10-0a4i-1900000000-95dc6d24a8e97c5bb4322021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 10V, Positive-QTOFsplash10-00xr-0940000000-36287c31659dc9fab6bb2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 20V, Positive-QTOFsplash10-07ou-6920000000-b70a8d4b35e9cee0f3262016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 40V, Positive-QTOFsplash10-02bf-9100000000-30a60e437b4c367d4ac62016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 10V, Negative-QTOFsplash10-03k9-0590000000-1af3e5f883f500f2e3ed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 20V, Negative-QTOFsplash10-00di-2910000000-7d2168cf68b6a5693cbf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfaguanidine 40V, Negative-QTOFsplash10-002f-9000000000-1148a42b084e8830c7bc2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13726
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5133
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSulfaguanidine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID94621
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]