2-chloro-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-chloro-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
2-chloro-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-0922 |
| Compound Name: | 2-chloro-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C18 H14 Cl N O5 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(\C=C2/C(NC(=S)S2)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.6533 |
| logD: | 2.3021 |
| logSw: | -4.0284 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.465 |
| InChI Key: | SUUYBVHAIQGMAN-UHFFFAOYSA-N |