2-[(3-methylbutyl)sulfanyl]benzoic acid
Chemical Structure Depiction of
2-[(3-methylbutyl)sulfanyl]benzoic acid
2-[(3-methylbutyl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | Y030-1739 |
| Compound Name: | 2-[(3-methylbutyl)sulfanyl]benzoic acid |
| Molecular Weight: | 224.32 |
| Molecular Formula: | C12 H16 O2 S |
| Smiles: | CC(C)CCSc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7425 |
| logD: | 0.8449 |
| logSw: | -3.8505 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6465 |
| InChI Key: | UACLGFBCPUCMFP-UHFFFAOYSA-N |