4-{[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}benzoic acid
4-{[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4896-3523 |
| Compound Name: | 4-{[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}benzoic acid |
| Molecular Weight: | 279.33 |
| Molecular Formula: | C12 H9 N O3 S2 |
| Smiles: | CSC1=NC(=C/c2ccc(cc2)C(O)=O)\C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0633 |
| logD: | -0.5435 |
| logSw: | -3.1704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.762 |
| InChI Key: | HBHRNIHMLYKCCX-UHFFFAOYSA-N |