methyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
methyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | Y206-5667 |
| Compound Name: | methyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Smiles: | Cc1ccc2c(c1)nc([nH]2)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9333 |
| logD: | 1.901 |
| logSw: | -2.5391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.83 |
| InChI Key: | KXNVNWHABSNJEB-UHFFFAOYSA-N |