Basic information
- Standard SMILES
CSc1ccc(Cl)cc1C#N- InChIKey
XXDMQVBJRAFVLT-UHFFFAOYSA-N- Molecular formula
- C8H6ClNS
- Average molar mass
- 183.66 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-(methylthio)benzonitrile
- IUPAC
- 5-chloro-2-methylsulfanylbenzonitrile
Names & synonyms
5-chloro-2-(methylthio)benzonitrile855197-61-4SCHEMBL1017722XXDMQVBJRAFVLT-UHFFFAOYSA-NAKOS0117833935-Chloro-2-methylsulfanyl-benzonitrileAT169335-chloro-2-(methylsulfanyl)benzonitrile
Database identifiers
- PubChem CID
- 59845693
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
20 records
Compound notes
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