2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3681-1253 |
| Compound Name: | 2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C18 H14 Cl N O5 S3 |
| Smiles: | CCOc1cc(/C=C2/C(NC(=S)S2)=O)cc(c1OS(c1ccccc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3198 |
| logD: | 1.9687 |
| logSw: | -3.5361 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.045 |
| InChI Key: | MRGUODAOXGQZSL-UHFFFAOYSA-N |