Basic information
- CAS
116579-33-0- Standard SMILES
CSc1cc(-c2ccc(F)cc2)nc(-c2cccc(C(F)(F)F)c2)c1- InChIKey
XVAUWXZQSZLDJY-UHFFFAOYSA-N- Molecular formula
- C19H13F4NS
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.07048324
Names & identifiers
- Preferred name
- Pyridine, 2-(4-fluorophenyl)-4-(methylthio)-6-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 2-(4-fluorophenyl)-4-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridine
Names & synonyms
116579-33-0Pyridine, 2-(4-fluorophenyl)-4-(methylthio)-6-(3-(trifluoromethyl)phenyl)-2-(4-fluorophenyl)-4-(methylsulfanyl)-6-[3-(trifluoromethyl)phenyl]pyridineDTXSID501514302-(4-Fluorophenyl)-4-(methylthio)-6-(3-(trifluoromethyl)phenyl)pyridine
Database identifiers
- CAS
116579-33-0- PubChem CID
- 189409
- DTXSID
DTXSID50151430
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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