4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2649-0065 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 265.31 |
| Molecular Formula: | C11 H7 N O3 S2 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)\c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5152 |
| logD: | -2.0917 |
| logSw: | -2.0028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.308 |
| InChI Key: | CEGWYNRNQDQLNJ-UHFFFAOYSA-N |