2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8016-1934 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C15 H11 N O2 S2 |
| Smiles: | C(c1ccccc1C(O)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6425 |
| logD: | 0.9105 |
| logSw: | -4.5218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.457 |
| InChI Key: | YMLKRZCJZALYNQ-UHFFFAOYSA-N |