| CAS Number | 1256483-45-0 |
| Catalog Number | AG01FB7M(AGN-PC-3H49I9) |
| Chemical Name | 4-(6-Methyl-2-benzimidazolyl)thiobenzamide |
| IUPAC Name | 4-(6-methyl-1H-benzimidazol-2-yl)benzenecarbothioamide |
| InChI | InChI=1S/C15H13N3S/c1-9-2-7-12-13(8-9)18-15(17-12)11-5-3-10(4-6-11)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,18) |
| InChI Key | BVRRFQXJMNIATM-UHFFFAOYSA-N |
| MDL Number | MFCD16658876 |
| Molecular Formula | C15H13N3S |
| Molecular Weight | 267.3488 |
| SMILES | Cc1ccc2c(c1)[nH]c(n2)c1ccc(cc1)C(=S)N |
| Synonyms | 4-(6-methyl-2-benzimidazolyl)thiobenzamide,
1256483-45-0,
MFCD16658876,
ZINC72284309,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.35g/mol |
| Monoisotopic Mass | 267.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number