methyl 4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
methyl 4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 4489-0419 |
| Compound Name: | methyl 4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate |
| Molecular Weight: | 293.36 |
| Molecular Formula: | C13 H11 N O3 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(cc2)C(=O)OC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5642 |
| logD: | 2.5642 |
| logSw: | -2.631 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.653 |
| InChI Key: | TYCJVBWFKORJAZ-UHFFFAOYSA-N |