2-(2-Cyanoethylsulfanyl)-4,6-dithiophen-2-ylpyridine-3-carbonitrile
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Basic information
- CAS
354554-64-6- Standard SMILES
N#CCCSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N- InChIKey
BPJJPLFHAFPVOE-UHFFFAOYSA-N- Molecular formula
- C17H11N3S3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.01151088
Names & identifiers
- Preferred name
- 2-(2-Cyanoethylsulfanyl)-4,6-dithiophen-2-ylpyridine-3-carbonitrile
- IUPAC
- 2-(2-cyanoethylsulfanyl)-4,6-dithiophen-2-ylpyridine-3-carbonitrile
- English name
- 2-[(2-cyanoethyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile
- Molecular formula
- C17H11N3S3
- Molecular weight
- 353.48
Names & synonyms
354554-64-62-(2-cyanoethylsulfanyl)-4,6-dithiophen-2-ylpyridine-3-carbonitrile2-[(2-cyanoethyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile2-[(2-cyanoethyl)sulfanyl]-4,6-di(thiophen-2-yl)pyridine-3-carbonitrileSTK021799AKOS003680395AM-807/131031072-((2-cyanoethyl)thio)-4,6-di(thiophen-2-yl)nicotinonitrile3-Pyridinecarbonitrile, 2-[(2-cyanoethyl)thio]-4,6-di-2-thienyl-
Database identifiers
- CAS
354554-64-6- PubChem CID
- 1894030
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 572.4 · 572.4±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -1.06 · -1.06±0.37(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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