| CAS Number | 1421261-86-0 |
| Catalog Number | AG01FAO0(AGN-PC-3H49G8) |
| Chemical Name | 2-(Thiophen-2-yl)-1H-benzo[d]imidazole-6-carbothioamide |
| IUPAC Name | 2-thiophen-2-yl-3H-benzimidazole-5-carbothioamide |
| InChI | InChI=1S/C12H9N3S2/c13-11(16)7-3-4-8-9(6-7)15-12(14-8)10-2-1-5-17-10/h1-6H,(H2,13,16)(H,14,15) |
| InChI Key | VSBMCPKJXUPLNX-UHFFFAOYSA-N |
| MDL Number | MFCD22988978 |
| Molecular Formula | C12H9N3S2 |
| Molecular Weight | 259.35 |
| SMILES | NC(=S)c1ccc2c(c1)[nH]c(n2)c1cccs1 |
| Synonyms | 2-(2-Thienyl)benzimidazole-6-thiocarboxamide,
1421261-86-0,
2-(Thiophen-2-yl)-1H-benzo[d]imidazole-6-carbothioamide,
MFCD22988978,
ZINC84847187,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.345g/mol |
| Monoisotopic Mass | 259.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number