Basic information
- CAS
136490-09-0- Standard SMILES
CSc1cc(-c2ccccc2)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1- InChIKey
KAKMVGORIPMANP-UHFFFAOYSA-N- Molecular formula
- C20H13F6NS
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.06728956
Names & identifiers
- Preferred name
- 2-[3,5-Bis(trifluoromethyl)phenyl]-4-methylsulfanyl-6-phenylpyridine
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]-4-methylsulfanyl-6-phenylpyridine
Names & synonyms
136490-09-0DTXSID709294512-[3,5-bis(trifluoromethyl)phenyl]-4-(methylsulfanyl)-6-phenylpyridine
Database identifiers
- CAS
136490-09-0- PubChem CID
- 178347
- DTXSID
DTXSID70929451
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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