CAS 832740-39-3

6-(Chlorodifluoromethyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile

Description:

6-(Chlorodifluoromethyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile, identified by its CAS number 832740-39-3, is a chemical compound that features a pyridine ring substituted with a chlorodifluoromethyl group and a thioxo moiety. This compound is characterized by its unique structural features, including the presence of a nitrile functional group, which contributes to its reactivity and potential applications in organic synthesis. The chlorodifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The thioxo group can participate in various chemical reactions, potentially leading to the formation of diverse derivatives. Additionally, the compound's dihydro form indicates the presence of a saturated bond within the pyridine ring, which may affect its stability and reactivity. Overall, this compound's unique combination of functional groups positions it as a valuable candidate for further research in fields such as pharmaceuticals and agrochemicals.

Formula: C₈H₅ClF₂N₂S

InChI: InChI=1S/C8H5ClF2N2S/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)

InChI key: InChIKey=ISRANJNFBBLYSM-UHFFFAOYSA-N

SMILES: C(Cl)(F)(F)C1=CC(C)=C(C#N)C(=S)N1

Synonyms:

• 6-(Chlorodifluoromethyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile
• 3-Pyridinecarbonitrile, 6-(chlorodifluoromethyl)-1,2-dihydro-4-methyl-2-thioxo-