CAS 82422-25-1

S-benzyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]benzenecarbothioate

Description:

S-benzyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]benzenecarbothioate, with CAS number 82422-25-1, is a synthetic organic compound characterized by its complex structure that includes both thioate and amide functionalities. This compound features a benzyl group and a heptafluorobutanoyl moiety, which contributes to its unique chemical properties, including high lipophilicity and potential reactivity due to the presence of fluorinated groups. The heptafluorobutanoyl group enhances the compound's stability and may influence its biological activity, making it of interest in pharmaceutical and agrochemical applications. The thioate functional group suggests potential for nucleophilic reactivity, which can be exploited in various chemical reactions. Additionally, the presence of multiple fluorine atoms can impart distinctive physical properties, such as increased volatility and altered solubility in organic solvents. Overall, this compound's unique characteristics make it a subject of interest in research and development within the fields of medicinal chemistry and materials science.

Formula: C₁₈H₁₂F₇NO₂S

InChI: InChI=1/C18H12F7NO2S/c19-16(20,17(21,22)18(23,24)25)15(28)26-13-9-5-4-8-12(13)14(27)29-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,26,28)

SMILES: c1ccc(cc1)CSC(=O)c1ccccc1N=C(C(C(C(F)(F)F)(F)F)(F)F)O