AC1M3FWI
3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: SR-01000262195-1|3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid|3-[4-Oxo-5-(4-prop-2-ynyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-propionic acid|3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid|3-[4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic Acid
| Molecular Formula | C16H13NO4S2 |
|---|---|
| Molecular Weight | 347.0286 g/mol |
| LogP | 2.3745 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.0286 |
| Monoisotopic Mass | 347.0286 |
| Heavy Atoms | 23 |
| Complexity | 703.7856 |
Chemical Identifiers
| CAS Number | 692276-76-9 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
AC1M3FWI (CAS 692276-76-9), with molecular formula C16H13NO4S2 and molecular weight 347.0286 g/mol. IUPAC: 3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
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