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CAS 175204-42-9

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3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide

Description:
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide is a chemical compound characterized by its isoxazole core, which is a five-membered heterocyclic ring containing both nitrogen and oxygen. This compound features a chloro and a fluorine substituent on a phenyl group, contributing to its unique electronic properties and potential biological activity. The presence of the carbothioamide functional group indicates that it contains a sulfur atom bonded to a carbonyl group, which can influence its reactivity and interactions with biological targets. The methyl group at the 5-position of the isoxazole ring may enhance lipophilicity, potentially affecting its pharmacokinetic properties. Overall, this compound may exhibit interesting pharmacological activities, making it a subject of interest in medicinal chemistry and drug development. Its specific characteristics, such as solubility, stability, and reactivity, would depend on the molecular environment and conditions under which it is studied.
Formula:C11H8ClFN2OS
InChI:InChI=1S/C11H8ClFN2OS/c1-5-8(11(14)17)10(15-16-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,17)
InChI key:InChIKey=BLDCXVWPXBITNH-UHFFFAOYSA-N
SMILES:ClC1=C(C(F)=CC=C1)C=2C(C(N)=S)=C(C)ON2
Synonyms:
  • 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
  • 4-Isoxazolecarbothioamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-
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