(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid
2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: Epalrestat Impurity 26|BAS 00262478|J2.417.821H|SR-01000358673-1|(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid|(E)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|5-Benzylidene-2-thioxo-4-oxothiazolidine-3-acetic acid|(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid|2-[4-oxo-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid|2-[4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00238 g/mol |
| LogP | 1.9724 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.00238 |
| Monoisotopic Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 539.5133 |
Chemical Identifiers
| CAS Number | 82159-06-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid (CAS 82159-06-6), with molecular formula C12H9NO3S2 and molecular weight 279.00238 g/mol. IUPAC: 2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.