3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid
3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | R152-1916 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid |
| Molecular Weight: | 210.29 |
| Molecular Formula: | C11 H14 O2 S |
| Smiles: | Cc1ccc(CSCCC(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2175 |
| logD: | -1.3472 |
| logSw: | -2.316 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6222 |
| InChI Key: | IUGBHTAZBLVTJT-UHFFFAOYSA-N |