4-chloro-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
4-chloro-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-0563 |
| Compound Name: | 4-chloro-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 425.93 |
| Molecular Formula: | C17 H12 Cl N O4 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1/C=C1/C(NC(=S)S1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6769 |
| logD: | 2.6105 |
| logSw: | -4.0405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.748 |
| InChI Key: | FZNLCSJLMDSMQO-UHFFFAOYSA-N |