methyl 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
methyl 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 0929-0023 |
| Compound Name: | methyl 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate |
| Molecular Weight: | 279.33 |
| Molecular Formula: | C12 H9 N O3 S2 |
| Smiles: | COC(c1ccc(\C=C2/C(NC(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7577 |
| logD: | 0.4065 |
| logSw: | -2.2163 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.074 |
| InChI Key: | JGFXKXPPIIPAFJ-UHFFFAOYSA-N |