Pyridine, 4-(propylthio)-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)-

HCID 178351

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Basic information

CAS: 136490-14-7
Standard SMILES: CCCSc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIKey: DJBPUZBBAJUQDK-UHFFFAOYSA-N
Molecular formula: C22H17F6NS
Average molar mass: 441.4 g/mol
Monoisotopic mass: 441.09858969

Names & identifiers

Preferred name: Pyridine, 4-(propylthio)-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)-
IUPAC: 4-propylsulfanyl-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine

Names & synonyms

Pyridine, 4-(propylthio)-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)-136490-14-7DTXSID001598204-(propylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine

Database identifiers

CAS: 136490-14-7
PubChem CID: 178351
DTXSID: DTXSID00159820

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 38.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 529

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