2-ethoxy-6-iodo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-ethoxy-6-iodo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
2-ethoxy-6-iodo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3681-1245 |
| Compound Name: | 2-ethoxy-6-iodo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 547.41 |
| Molecular Formula: | C18 H14 I N O5 S3 |
| Smiles: | CCOc1cc(/C=C2/C(NC(=S)S2)=O)cc(c1OS(c1ccccc1)(=O)=O)I |
| Stereo: | ACHIRAL |
| logP: | 3.3919 |
| logD: | 2.0407 |
| logSw: | -3.7685 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.045 |
| InChI Key: | IKGLJHATQXEMBU-UHFFFAOYSA-N |