AC1LUGXL
4-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: SR-01000008767-1|F0720-0034|4-((Z)-5-((E)-3-(2-nitrophenyl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|4-[(5Z)-5-[(2E)-3-(2-NITROPHENYL)PROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID|4-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid|4-[5-[3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic Acid|4-{(5Z)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid|4-{5-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3 -yl}butanoic acid
| Molecular Formula | C16H14N2O5S2 |
|---|---|
| Molecular Weight | 378.03442 g/mol |
| LogP | 3.217 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.03442 |
| Monoisotopic Mass | 378.03442 |
| Heavy Atoms | 25 |
| Complexity | 788.4847 |
Chemical Identifiers
| CAS Number | 301688-79-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)[N+](=O)[O-] |
Product Overview
AC1LUGXL (CAS 301688-79-9), with molecular formula C16H14N2O5S2 and molecular weight 378.03442 g/mol. IUPAC: 4-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.