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CAS 1159512-51-2

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2-Amino-6-[(1,1,2,2,2-pentafluoroethyl)thio]benzonitrile

Description:
2-Amino-6-[(1,1,2,2,2-pentafluoroethyl)thio]benzonitrile is a chemical compound characterized by its unique structural features, which include an amino group and a benzonitrile moiety. The presence of the thioether functional group, specifically the pentafluoroethyl substituent, imparts significant fluorine content, which can enhance the compound's chemical stability and lipophilicity. This compound is likely to exhibit interesting properties such as high thermal stability and potential applications in pharmaceuticals or agrochemicals due to its unique electronic and steric characteristics. The amino group can participate in hydrogen bonding, influencing solubility and reactivity, while the benzonitrile portion may contribute to its aromaticity and potential for π-π interactions. Additionally, the fluorinated ethyl group may affect the compound's biological activity and interaction with biological systems. Overall, 2-Amino-6-[(1,1,2,2,2-pentafluoroethyl)thio]benzonitrile represents a complex molecule with potential utility in various chemical and industrial applications.
Formula:C9H5F5N2S
InChI:InChI=1S/C9H5F5N2S/c10-8(11,12)9(13,14)17-7-3-1-2-6(16)5(7)4-15/h1-3H,16H2
InChI key:InChIKey=JGAFJAONZGYXNZ-UHFFFAOYSA-N
SMILES:S(C(C(F)(F)F)(F)F)C1=C(C#N)C(N)=CC=C1
Synonyms:
  • 2-Amino-6-[(1,1,2,2,2-pentafluoroethyl)thio]benzonitrile
  • Benzonitrile, 2-amino-6-[(1,1,2,2,2-pentafluoroethyl)thio]-
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