methyl 3-{[(4-methylphenyl)methyl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 3-{[(4-methylphenyl)methyl]sulfanyl}propanoate
methyl 3-{[(4-methylphenyl)methyl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | Y203-3902 |
| Compound Name: | methyl 3-{[(4-methylphenyl)methyl]sulfanyl}propanoate |
| Molecular Weight: | 224.32 |
| Molecular Formula: | C12 H16 O2 S |
| Smiles: | Cc1ccc(CSCCC(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8273 |
| logD: | 2.8273 |
| logSw: | -3.1026 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.8173 |
| InChI Key: | WRHHPYRVOBOVLD-UHFFFAOYSA-N |