4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 8009-1778 |
| Compound Name: | 4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 279.33 |
| Molecular Formula: | C12 H9 N O3 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(cc2)C(O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3216 |
| logD: | -1.2852 |
| logSw: | -2.6035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.888 |
| InChI Key: | IAJZJHABLIYZOZ-UHFFFAOYSA-N |