1-[(1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[(1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol--hydrogen chloride (1/1)
1-[(1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D201-0056 |
| Compound Name: | 1-[(1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol--hydrogen chloride (1/1) |
| Molecular Weight: | 286.82 |
| Molecular Formula: | C13 H18 N2 O S |
| Salt: | HCl |
| Smiles: | CC(C)(C)C(CSc1nc2ccccc2[nH]1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8724 |
| logD: | 2.8717 |
| logSw: | -2.9411 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.404 |
| InChI Key: | FJEIFUPMNIQGNG-NSHDSACASA-N |