| CAS Number | 731776-67-3 |
| Catalog Number | AG00FC36(AGN-PC-0WR4JF) |
| Chemical Name | 2-Mercapto-1-propyl-1H-benzo[d]imidazole-5-sulfonamide |
| IUPAC Name | 1-propyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide |
| InChI | InChI=1S/C10H13N3O2S2/c1-2-5-13-9-4-3-7(17(11,14)15)6-8(9)12-10(13)16/h3-4,6H,2,5H2,1H3,(H,12,16)(H2,11,14,15) |
| InChI Key | HUGHJMAFQAPIKJ-UHFFFAOYSA-N |
| MDL Number | MFCD04629632 |
| Molecular Formula | C10H13N3O2S2 |
| Molecular Weight | 271.3591 |
| SMILES | O=S(C1=CC=C(N(CCC)C(S)=N2)C2=C1)(N)=O |
| Synonyms | 731776-67-3,
2-mercapto-1-propyl-1H-benzimidazole-5-sulfonamide,
1-propyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide,
2-Mercapto-1-propyl-1H-benzo[d]imidazole-5-sulfonamide,
AC1N7VXM,
AC1Q2XVA,
1-propyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide,
CTK6E4487,
CTK8F4338,
ZINC6204999,
MFCD04629632,
NE12970,
EN300-11665,
J-509756,
CID4285822,
1-propyl-2-sulfanylidene-3H-benzoimidazole-5-sulfonamide,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.353g/mol |
| Monoisotopic Mass | 271.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number