2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanedioic acid
Chemical Structure Depiction of
2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanedioic acid
2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanedioic acid
Compound characteristics
| Compound ID: | 1682-6962 |
| Compound Name: | 2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanedioic acid |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C15 H13 N O5 S2 |
| Smiles: | Cc1ccc(/C=C2/C(N(C(CC(O)=O)C(O)=O)C(=S)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2063 |
| logD: | -2.0862 |
| logSw: | -2.0277 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.431 |
| InChI Key: | SBQDEPSIAOXZNK-JTQLQIEISA-N |