4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3229-1507 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile |
| Molecular Weight: | 246.31 |
| Molecular Formula: | C11 H6 N2 O S2 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3214 |
| logD: | -0.0298 |
| logSw: | -2.1562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.956 |
| InChI Key: | KQZYUFUWQRAWLE-UHFFFAOYSA-N |