2-[(3-phenylpropyl)sulfanyl]benzoic acid
Chemical Structure Depiction of
2-[(3-phenylpropyl)sulfanyl]benzoic acid
2-[(3-phenylpropyl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | Y030-1731 |
| Compound Name: | 2-[(3-phenylpropyl)sulfanyl]benzoic acid |
| Molecular Weight: | 272.36 |
| Molecular Formula: | C16 H16 O2 S |
| Smiles: | C(Cc1ccccc1)CSc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7402 |
| logD: | 1.8427 |
| logSw: | -4.5581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.375 |
| InChI Key: | WSSAZJUNDOZLDQ-UHFFFAOYSA-N |