3-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y070-0076 |
| Compound Name: | 3-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 418.35 |
| Molecular Formula: | C14 H12 Br N O3 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C/c2ccc(cc2)[Br])SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.539 |
| logD: | 2.539 |
| logSw: | -2.6121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.101 |
| InChI Key: | CRUHVJLVWXDCNF-NSHDSACASA-N |