AC1O4BV9
2-[(5E)-5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-2440|2-[(5E)-5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid|(E)-2-(5-(1-(4-chlorophenyl)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid|2-[(5E)-5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid|2-{5-[(4-chlorophenyl)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesu lfonic acid|2-[(E)-5-[1-(p-chlorophenyl)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethyl(hydroxy)(oxo)-lambda-sulfaniumolate|2-[5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic Acid
| Molecular Formula | C13H12ClNO4S3 |
|---|---|
| Molecular Weight | 376.9617 g/mol |
| LogP | 2.8191 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.9617 |
| Monoisotopic Mass | 376.9617 |
| Heavy Atoms | 22 |
| Complexity | 755.9948 |
Chemical Identifiers
| CAS Number | 880641-75-8 |
|---|---|
| SMILES | C/C(=C\1/C(=O)N(C(=S)S1)CCS(=O)(=O)O)/C2=CC=C(C=C2)Cl |
Product Overview
AC1O4BV9 (CAS 880641-75-8), with molecular formula C13H12ClNO4S3 and molecular weight 376.9617 g/mol. IUPAC: 2-[(5E)-5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.