2-[(4-Methylphenyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Basic information
- CAS
478043-37-7- Standard SMILES
Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1- InChIKey
QFOZLTOOFFSJRA-UHFFFAOYSA-N- Molecular formula
- C20H13F3N2S
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.07515408
Names & identifiers
- Preferred name
- 2-[(4-Methylphenyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
- IUPAC
- 2-(4-methylphenyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Names & synonyms
478043-37-72-[(4-methylphenyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile2-[(4-methylphenyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile2-(4-methylphenyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrileBionet1_003496HMS578K18DTXSID701141278MFCD01814435AKOS0050918834N-319S6-phenyl-2-(p-tolylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile2-[(4-Methylphenyl)thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Database identifiers
- CAS
478043-37-7- PubChem CID
- 5164874
- DTXSID
DTXSID701141278
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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