4-(4-Chlorophenyl)-2-(2-cyanoethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Basic information
- CAS
445266-51-3- Standard SMILES
N#CCCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N- InChIKey
INCUPCBLGRXGKK-UHFFFAOYSA-N- Molecular formula
- C19H12ClN3S2
- Average molar mass
- 381.9 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-2-(2-cyanoethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
- IUPAC
- 4-(4-chlorophenyl)-2-(2-cyanoethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
- English name
- 4-(4-chlorophenyl)-2-[(2-cyanoethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
- Molecular formula
- C19H12ClN3S2
- Molecular weight
- 381.9
Names & synonyms
445266-51-34-(4-chlorophenyl)-2-(2-cyanoethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile4-(4-chlorophenyl)-2-[(2-cyanoethyl)sulfanyl]-6-(2-thienyl)nicotinonitrileAM-807/13104264STK843183AKOS0036816424-(4-chlorophenyl)-2-((2-cyanoethyl)thio)-6-(thiophen-2-yl)nicotinonitrile4-(4-chlorophenyl)-2-[(2-cyanoethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[(2-cyanoethyl)thio]-6-(2-thienyl)-
Database identifiers
- CAS
445266-51-3
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 591.3 · 591.3±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -1.47 · -1.47±0.37(Predicted)
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Compound notes
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