C21H17N3O3S2
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: KS-00003P1P|3-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE|2-[(2-benzothiazol-2-ylsulfanyl-5-nitro-phenyl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile|2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile|2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C21H17N3O3S2 |
|---|---|
| Molecular Weight | 423.07114 g/mol |
| LogP | 5.87788 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.07114 |
| Monoisotopic Mass | 423.07114 |
| Heavy Atoms | 29 |
| Complexity | 1150.8348 |
Chemical Identifiers
| CAS Number | 1025575-51-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2)C#N |
Product Overview
C21H17N3O3S2 (CAS 1025575-51-2), with molecular formula C21H17N3O3S2 and molecular weight 423.07114 g/mol. IUPAC: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile.
C21H17N3O3S2 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »