Completing data — usually done within a minute
Basic information
- CAS
46836-99-1- Standard SMILES
N#Cc1ccc(Sc2ccc(C#N)cc2)cc1- InChIKey
AQNOYHFCRNPFGZ-UHFFFAOYSA-N- Molecular formula
- C14H8N2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.04081926
Names & identifiers
- Preferred name
- Benzonitrile, 4,4'-thiobis-
- IUPAC
- 4-(4-cyanophenyl)sulfanylbenzonitrile
Names & synonyms
46836-99-1Benzonitrile, 4,4'-thiobis-bis(4-cyanophenyl) sulfide4,4'-Dicyanodiphenyl sulfidebis(p-cyanophenyl)sulfide4-[(4-CYANOPHENYL)SULFANYL]BENZONITRILE4,4'-SulfanediyldibenzonitrileSCHEMBL3394075DTXSID50346985
Database identifiers
- CAS
46836-99-1- PubChem CID
- 616861
- DTXSID
DTXSID50346985- Nikkaji
- J786.494I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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