4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-0542 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 422.45 |
| Molecular Formula: | C16 H10 N2 O6 S3 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1ccc(cc1)OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1085 |
| logD: | 0.7573 |
| logSw: | -2.8404 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.742 |
| InChI Key: | YWXOPSPBBBUBRO-UHFFFAOYSA-N |