CHEMBL254860
4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 02057034|4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
CAS: 314751-79-6
| Molecular Formula | C15H13NO5S2 |
|---|---|
| Molecular Weight | 351.02353 g/mol |
| LogP | 2.4813 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.02353 |
| Monoisotopic Mass | 351.02353 |
| Heavy Atoms | 23 |
| Complexity | 715.81885 |
Chemical Identifiers
| CAS Number | 314751-79-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O |
Product Overview
CHEMBL254860 (CAS 314751-79-6), with molecular formula C15H13NO5S2 and molecular weight 351.02353 g/mol. IUPAC: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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