2-{[(prop-2-yn-1-yl)sulfanyl]methyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[(prop-2-yn-1-yl)sulfanyl]methyl}-1H-benzimidazole
2-{[(prop-2-yn-1-yl)sulfanyl]methyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | D011-6172 |
| Compound Name: | 2-{[(prop-2-yn-1-yl)sulfanyl]methyl}-1H-benzimidazole |
| Molecular Weight: | 202.27 |
| Molecular Formula: | C11 H10 N2 S |
| Smiles: | C#CCSCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8812 |
| logD: | 2.8743 |
| logSw: | -3.0196 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.52 |
| InChI Key: | KMQVUBYXAKTOSE-UHFFFAOYSA-N |