| CAS Number | 790271-20-4 |
| Catalog Number | AG00ICZW(AGN-PC-0WQYDI) |
| Chemical Name | 1-methyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide |
| IUPAC Name | 1-methyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide |
| InChI | InChI=1S/C8H9N3O2S2/c1-11-7-3-2-5(15(9,12)13)4-6(7)10-8(11)14/h2-4H,1H3,(H,10,14)(H2,9,12,13) |
| InChI Key | DERBQFJCXQRUTC-UHFFFAOYSA-N |
| MDL Number | MFCD06357888 |
| Molecular Formula | C8H9N3O2S2 |
| Molecular Weight | 243.3060 |
| SMILES | CN1C2=C(C=C(S(N)(=O)=O)C=C2)N=C1S |
| Synonyms | 1-methyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide,
2-mercapto-1-methyl-1H-benzimidazole-5-sulfonamide,
790271-20-4,
AC1NJ8ND,
AC1Q3Y5X,
CTK6I1688,
CTK8F4337,
HMS1719H13,
ZINC6922972,
MFCD06357888,
AKOS008967761,
MCULE-1377690575,
NE13198,
EN300-11008,
SR-01000058760,
SR-01000058760-1,
Z57032553,
1-methyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide,
ZINC03394234,
CID4868366,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.299g/mol |
| Monoisotopic Mass | 243.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number