4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
Chemical Structure Depiction of
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8004-9849 |
| Compound Name: | 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C14 H10 N2 O S2 |
| Smiles: | C=CCN1C(/C(=C\c2ccc(C#N)cc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9473 |
| logD: | 2.9473 |
| logSw: | -3.2428 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.749 |
| InChI Key: | WMSBBVPBMLVQCU-UHFFFAOYSA-N |