2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3584-0407 |
| Compound Name: | 2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 407.48 |
| Molecular Formula: | C17 H13 N O5 S3 |
| Smiles: | COc1cc(/C=C2/C(NC(=S)S2)=O)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1165 |
| logD: | 0.7653 |
| logSw: | -3.0377 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.379 |
| InChI Key: | RVSHTIRVZIHMIC-UHFFFAOYSA-N |