Basic information
- CAS
72433-38-6- Standard SMILES
N#Cc1ccccc1Sc1ccc(Cl)cc1- InChIKey
XQMIYDPLOZBCMD-UHFFFAOYSA-N- Molecular formula
- C13H8ClNS
- Average molar mass
- 245.73 g/mol
- Monoisotopic mass
- 245.00659794
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)thio]benzonitrile
- IUPAC
- 2-(4-chlorophenyl)sulfanylbenzonitrile
- English name
- 2-[(4-chlorophenyl)thio]benzonitrile
- Molecular formula
- C13H8ClNS
- Molecular weight
- 245.72732
Names & synonyms
72433-38-6EINECS 276-662-12-((4-Chlorophenyl)thio)benzonitrile2-[(4-CHLOROPHENYL)THIO]BENZONITRILERefChem:83722276-662-12-[(4-CHLOROPHENYL)SULFANYL]BENZONITRILESCHEMBL11277911DTXSID80993244MFCD11122845AKOS0090473512-(4'-chloro-phenylthio)-benzonitrile
Show more names
NS00063415
Database identifiers
- CAS
72433-38-6- PubChem CID
- 3018342
- DTXSID
DTXSID80993244- EC Number
- 276-662-1
- Nikkaji
- J296.311F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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