methyl 2-[(1H-benzimidazol-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(1H-benzimidazol-2-yl)sulfanyl]propanoate
methyl 2-[(1H-benzimidazol-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | 4236-3354 |
| Compound Name: | methyl 2-[(1H-benzimidazol-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Smiles: | CC(C(=O)OC)Sc1nc2ccccc2[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.259 |
| logD: | 2.1596 |
| logSw: | -2.5504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.425 |
| InChI Key: | CSGQJXYOVIGMRM-ZETCQYMHSA-N |