Basic information
- CAS
1159512-54-5- Standard SMILES
N#Cc1c(Cl)cccc1SC(F)(F)F- InChIKey
DIFWHVKWCOWITG-UHFFFAOYSA-N- Molecular formula
- C8H3ClF3NS
- Average molar mass
- 237.63 g/mol
- Monoisotopic mass
- 236.9626825
Names & identifiers
- Preferred name
- 2-Chloro-6-(trifluoromethylthio)benzonitrile
- IUPAC
- 2-chloro-6-(trifluoromethylsulfanyl)benzonitrile
Names & synonyms
2-Chloro-6-(trifluoromethylthio)benzonitrile1159512-54-52-Chloro-6-[(trifluoromethyl)thio]benzonitrile2-chloro-6-(trifluoromethylsulfanyl)benzonitrile2-CHLORO-6-[(TRIFLUOROMETHYL)SULFANYL]BENZONITRILEMFCD120264682-Chloro-6-(trifluoromethylthio)benzonitrile, 97%DTXSID001246164SBB098844AKOS0173444056-chloro-2-(trifluoromethylthio)benzenecarbonitrile
Database identifiers
- CAS
1159512-54-5- PubChem CID
- 45933697
- DTXSID
DTXSID001246164
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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