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CAS 868238-03-3

:

2-[[1-Butyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]acetic acid

Description:
2-[[1-Butyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]acetic acid is a chemical compound characterized by its unique structure, which includes a benzimidazole moiety substituted with a butyl group and a trifluoromethyl group, along with a thioacetic acid functional group. This compound exhibits properties typical of benzimidazole derivatives, such as potential biological activity, including antimicrobial or antifungal effects, due to the presence of the benzimidazole ring. The trifluoromethyl group enhances lipophilicity and may influence the compound's pharmacokinetics and interaction with biological targets. The thioacetic acid portion contributes to its reactivity and potential for forming thioester linkages. Additionally, the presence of fluorine atoms can impart unique electronic properties, affecting the compound's stability and reactivity. Overall, this compound's characteristics suggest it may have applications in medicinal chemistry or as a biochemical probe, although specific biological activities would require further investigation through empirical studies.
Formula:C14H15F3N2O2S
InChI:InChI=1S/C14H15F3N2O2S/c1-2-3-6-19-11-5-4-9(14(15,16)17)7-10(11)18-13(19)22-8-12(20)21/h4-5,7H,2-3,6,8H2,1H3,(H,20,21)
InChI key:InChIKey=HKZNNPXOHXDRCW-UHFFFAOYSA-N
SMILES:C(CCC)N1C=2C(N=C1SCC(O)=O)=CC(C(F)(F)F)=CC2
Synonyms:
  • Acetic acid, 2-[[1-butyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]-
  • Acetic acid, [[1-butyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]-
  • 2-[[1-Butyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]acetic acid
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