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CAS 113546-64-8

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2-(2-Benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone

Description:
2-(2-Benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, with the CAS number 113546-64-8, is a chemical compound characterized by its complex structure that includes a benzoxazole moiety and a pyrazole ring. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, which may be attributed to its heterocyclic components. The presence of sulfur in the benzothiazole group can enhance its reactivity and interaction with biological targets. Additionally, the dimethyl substitution on the pyrazole ring may influence its electronic properties and steric hindrance, potentially affecting its pharmacological profile. Such compounds are often investigated for their applications in medicinal chemistry, particularly for their potential as therapeutic agents or in agrochemical formulations. The specific characteristics, such as melting point, boiling point, and spectral data, would require empirical measurement or detailed literature references for precise values.
Formula:C14H13N3O2S
InChI:InChI=1S/C14H13N3O2S/c1-9-7-10(2)17(16-9)13(18)8-20-14-15-11-5-3-4-6-12(11)19-14/h3-7H,8H2,1-2H3
InChI key:InChIKey=CLJVWENMJSPRNG-UHFFFAOYSA-N
SMILES:S(CC(=O)N1C(C)=CC(C)=N1)C2=NC=3C(O2)=CC=CC3
Synonyms:
  • 2-(2-Benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone
  • 2-(Benzo[d]oxazol-2-ylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone
  • 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
  • Ethanone, 2-(2-benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
  • 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-
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