3-{5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4670-0436 |
| Compound Name: | 3-{5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 313.41 |
| Molecular Formula: | C12 H11 N O3 S3 |
| Smiles: | Cc1ccsc1\C=C1/C(N(CCC(O)=O)C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9099 |
| logD: | -0.6227 |
| logSw: | -2.1477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.095 |
| InChI Key: | JPIDUFHGFZHZHJ-UHFFFAOYSA-N |