4,4'-Sulfonylbis(benzonitrile)
Basic information
- CAS
6461-99-0- Standard SMILES
N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1- InChIKey
MZKBKRFSDLTYAN-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.03064868
Names & identifiers
- Preferred name
- 4,4'-Sulfonylbis(benzonitrile)
- IUPAC
- 4-(4-cyanophenyl)sulfonylbenzonitrile
- English name
- 4,4'-Dicyanodiphenylsulphone
- Molecular formula
- C14H8N2O2S
- Molecular weight
- 268.29
Names & synonyms
6461-99-0BENZONITRILE, 4,4'-SULFONYLDI-FQC3729ZDENSC-91569DTXSID102148584,4'-SULFONYLBIS(BENZONITRILE)RefChem:1069298DTXCID40137349229-277-84,4'-Dicyanodiphenylsulphonep-Cyanophenyl sulfone4,4'-Sulfonyldibenzonitrile
Show more names
4,4’-sulfonyldibenzonitrilep-cyanophenylsulfone4,4’-sulfonyldi-benzonitril
Sulfone, bis(p-cyanophenyl)4-(4-cyanophenyl)sulfonylbenzonitrileNSC91569EINECS 229-277-84,4'-Sulphonylbis(benzonitrile)Benzonitrile, 4,4'-sulfonylbis-NSC 91569UNII-FQC3729ZDE
Database identifiers
- CAS
6461-99-0- PubChem CID
- 22963
- DTXSID
DTXSID10214858- UNII
- FQC3729ZDE
- EC Number
- 229-277-8
- Nikkaji
- J42.006I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- FDA UNII
- 3729 ZDE · FQC3729ZDE
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Related reactions
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Compound notes
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