RefChem:449697
2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-((5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-3-yl)ethanesulfonic acid|2-(4-Oxo-5-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid|2-((5Z)-4-Oxo-5-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid|2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid|2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid|647-090-3
| Molecular Formula | C24H23N3O5S3 |
|---|---|
| Molecular Weight | 529.07996 g/mol |
| LogP | 4.4171 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.07996 |
| Monoisotopic Mass | 529.07996 |
| Heavy Atoms | 35 |
| Complexity | 1367.146 |
Chemical Identifiers
| CAS Number | 623935-31-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4 |
Product Overview
RefChem:449697 (CAS 623935-31-9), with molecular formula C24H23N3O5S3 and molecular weight 529.07996 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
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