2-{[(4-chlorophenyl)methyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}benzoic acid
2-{[(4-chlorophenyl)methyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | 8012-2509 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}benzoic acid |
| Molecular Weight: | 278.75 |
| Molecular Formula: | C14 H11 Cl O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8865 |
| logD: | 1.2751 |
| logSw: | -4.2515 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.375 |
| InChI Key: | XYLALGWPEGHXHS-UHFFFAOYSA-N |