2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0172 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 259.32 |
| Molecular Formula: | C14 H13 N O2 S |
| Smiles: | Cc1cccc(CSc2c(cccn2)C(O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5285 |
| logD: | 1.4303 |
| logSw: | -3.5893 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.554 |
| InChI Key: | ZXXRXKAXDLVCHX-UHFFFAOYSA-N |