CAS 832738-24-6

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

Description:

6-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile is a synthetic organic compound characterized by its complex structure, which includes a pyridine ring, a thioxo group, and a cyano group. The presence of the heptafluoropropyl substituent imparts unique properties, such as increased hydrophobicity and potential applications in fluorinated materials. This compound is likely to exhibit significant thermal and chemical stability due to the strong C-F bonds associated with the fluorinated moiety. Additionally, the thioxo group may contribute to its reactivity, making it a candidate for various chemical transformations. The compound's molecular structure suggests potential uses in pharmaceuticals or agrochemicals, particularly in the development of novel compounds with specific biological activities. Its CAS number, 832738-24-6, allows for easy identification and reference in chemical databases. As with many fluorinated compounds, safety and environmental considerations are important, given the potential persistence and bioaccumulation of fluorinated substances.

Formula: C₁₀H₅F₇N₂S

InChI: InChI=1S/C10H5F7N2S/c1-4-2-6(19-7(20)5(4)3-18)8(11,12)9(13,14)10(15,16)17/h2H,1H3,(H,19,20)

InChI key: InChIKey=ITMIFEMZYNEALI-UHFFFAOYSA-N

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

Synonyms:

• 3-Pyridinecarbonitrile, 6-(heptafluoropropyl)-1,2-dihydro-4-methyl-2-thioxo-
• 6-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile
• 3-Pyridinecarbonitrile, 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,2-dihydro-4-methyl-2-thioxo-