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CAS 104960-49-8

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2-mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

Description:
2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile, with the CAS number 104960-49-8, is a chemical compound that belongs to the class of nitriles and thiols. This substance features a nicotinonitrile backbone, which is characterized by a pyridine ring with a cyano group, and it is substituted with a trifluoromethyl group and a phenyl group. The presence of the mercapto (-SH) group imparts thiol characteristics, making it reactive and capable of forming disulfide bonds or participating in nucleophilic reactions. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity. This compound may exhibit interesting pharmacological properties due to its structural features, making it a subject of interest in medicinal chemistry and drug development. Additionally, its unique combination of functional groups may contribute to its reactivity and potential applications in various chemical syntheses or as a building block in organic chemistry. Safety and handling precautions should be observed due to the presence of the thiol group and potential toxicity associated with nitriles.
Formula:C13H7F3N2S
InChI:InChI=1/C13H7F3N2S/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)
SMILES:c1ccc(cc1)c1cc(c(C#N)c(n1)S)C(F)(F)F
Synonyms:
  • 6-Phenyl-2-Thioxo-4-(Trifluoromethyl)-1,2-Dihydropyridine-3-Carbonitrile
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