2,2'-Dithiobis(6-phenylnicotinonitrile)
Basic information
- CAS
401835-03-8- Standard SMILES
N#Cc1ccc(-c2ccccc2)nc1SSc1nc(-c2ccccc2)ccc1C#N- InChIKey
SOGIKFMANLYHBF-UHFFFAOYSA-N- Molecular formula
- C24H14N4S2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.06598881
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(6-phenylnicotinonitrile)
- IUPAC
- 2-[(3-cyano-6-phenyl-2-pyridinyl)disulfanyl]-6-phenylpyridine-3-carbonitrile
- English name
- 2,2'-Disulfanediylbis(6-phenylnicotinonitrile)
- Molecular formula
- C24H14N4S2
- Molecular weight
- 422.53
Names & synonyms
AKOS0036802622,2'-dithiobis(6-phenylnicotinonitrile)ST510021982,2'-DISULFANEDIYLBIS(6-PHENYLNICOTINONITRILE)2-[(3-cyano-6-phenyl(2-pyridyl))disulfanyl]-6-phenylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 2,2′-dithiobis[6-phenyl-
Database identifiers
- CAS
401835-03-8- PubChem CID
- 4149604
- EC Number
- 167-893-8
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 644.572 · 644.572±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.405 · 1.405±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.845 · -0.845±0.10(predicted)
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Compound notes
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