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Basic information
- CAS
59758-02-0- Standard SMILES
Cn1cc(-c2ccccc2)c(=S)c(-c2cccc(C(F)(F)F)c2)c1- InChIKey
MGVVCRMNSFVLTM-UHFFFAOYSA-N- Molecular formula
- C19H14F3NS
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.07990511
Names & identifiers
- Preferred name
- 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)pyridine-4-thione
- IUPAC
- 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine-4-thione
Names & synonyms
1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)pyridine-4-thione59758-02-0SCHEMBL11175165DTXSID902084921-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine-4(1H)-thione1-methyl-3-phenyl-5-(3-trifluoromethylphenyl)-4(1H)-pyridinethione
Database identifiers
- CAS
59758-02-0- PubChem CID
- 181237
- DTXSID
DTXSID90208492- Nikkaji
- J482.664G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Related reactions
3 records
Compound notes
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