{5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 3229-2171 |
| Compound Name: | {5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C13 H8 N2 O3 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2ccc(C#N)cc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9004 |
| logD: | -2.2185 |
| logSw: | -1.9007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.154 |
| InChI Key: | WKPXJLWHMPKRDX-UHFFFAOYSA-N |