AC1LUM8G
4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872042|BIM-0031732.P001|4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid|4-[5-(3-Fluoro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-butyric acid|(Z)-4-(5-(3-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid|4-[5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid|4-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
| Molecular Formula | C14H12FNO3S2 |
|---|---|
| Molecular Weight | 325.02426 g/mol |
| LogP | 2.8917 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.02426 |
| Monoisotopic Mass | 325.02426 |
| Heavy Atoms | 21 |
| Complexity | 630.4001 |
Chemical Identifiers
| CAS Number | 5755-76-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
AC1LUM8G (CAS 5755-76-0), with molecular formula C14H12FNO3S2 and molecular weight 325.02426 g/mol. IUPAC: 4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
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