4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3584-0233 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C16 H11 N O4 S3 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1ccc(cc1)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4053 |
| logD: | 1.0541 |
| logSw: | -2.9049 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.662 |
| InChI Key: | NQXOAJCOJKBVOE-UHFFFAOYSA-N |