HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Phenyl-1H-benzimidazole-5-thiol
Identifiers & Physical Properties
| CAS No. | 238426-41-0 |
|---|---|
| Molecular formula | C13H10N2S |
| Average molar mass | 226.3 g/mol |
| Monoisotopic mass | 226.0564695 g/mol |
| SMILES | Sc1ccc2c(c1)ncn2-c1ccccc1 |
| InChIKey | QJMFHEHQAWFOPG-UHFFFAOYSA-N |
| PubChem CID | 5328513 |
| ChEMBL | CHEMBL419653 |
| DTXSID | DTXSID80416165 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 18.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 240 |