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CAS 13451-80-4

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5-(Trifluoromethyl)-2(3H)-benzoxazolethione

Description:
5-(Trifluoromethyl)-2(3H)-benzoxazolethione, with the CAS number 13451-80-4, is a chemical compound characterized by its unique structural features, including a benzoxazole ring and a trifluoromethyl group. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity and reactivity due to the presence of sulfur in the thione functional group. The trifluoromethyl group enhances the lipophilicity and stability of the molecule, which can influence its interaction with biological systems. It may also exhibit fluorescence properties, making it useful in various applications, including pharmaceuticals and agrochemicals. The presence of the benzoxazole moiety suggests potential applications in medicinal chemistry, particularly in the development of compounds with antimicrobial or anticancer properties. As with many heterocycles, the compound's reactivity can be influenced by the electronic effects of the trifluoromethyl group, which can participate in various chemical reactions, including nucleophilic substitutions and electrophilic additions. Overall, this compound represents a class of substances with diverse applications in chemical research and industry.
Formula:C8H4F3NOS
InChI:InChI=1S/C8H4F3NOS/c9-8(10,11)4-1-2-6-5(3-4)12-7(14)13-6/h1-3H,(H,12,14)
InChI key:InChIKey=MBQRNNRGEFJOFN-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C=C2C(=CC1)OC(=S)N2
Synonyms:
  • 5-(Trifluoromethyl)-2-mercaptobenzoxazole
  • 2(3H)-Benzoxazolethione, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)-2(3H)-benzoxazolethione
  • 2-Benzoxazolinethione, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)-2-benzoxazolethiol
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