2-[(2-oxopropyl)sulfanyl]benzoic acid
Chemical Structure Depiction of
2-[(2-oxopropyl)sulfanyl]benzoic acid
2-[(2-oxopropyl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | C797-1310 |
| Compound Name: | 2-[(2-oxopropyl)sulfanyl]benzoic acid |
| Molecular Weight: | 210.25 |
| Molecular Formula: | C10 H10 O3 S |
| Smiles: | CC(CSc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6471 |
| logD: | -0.9643 |
| logSw: | -2.1953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.982 |
| InChI Key: | QIFGESFKZRVPBT-UHFFFAOYSA-N |