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CAS 321309-33-5

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3-Isothiocyanato-5-methylisoxazole

Description:
3-Isothiocyanato-5-methylisoxazole is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. The compound features a five-membered isoxazole ring, which contributes to its stability and unique properties. Isothiocyanates are often derived from glucosinolates and are recognized for their role in plant defense mechanisms, as well as their potential health benefits, including anticancer properties. The presence of the methyl group at the 5-position of the isoxazole ring may influence the compound's solubility and reactivity. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in drug development and as a bioactive agent. Its specific interactions and effects in biological systems can vary, making it a subject of ongoing research. As with many isothiocyanates, safety and handling precautions are essential due to their potential irritant properties.
Formula:C5H4N2OS
InChI:InChI=1/C5H4N2OS/c1-4-2-5(6-3-9)7-8-4/h2H,1H3
InChI key:InChIKey=YADFBVUOBWXDRZ-UHFFFAOYSA-N
SMILES:N(=C=S)C=1C=C(C)ON1
Synonyms:
  • 3-Isothiocyanato-5-Methylisoxazole
  • 3-Isothiocyanato-5-methyl-1,2-oxazole
  • Isoxazole, 3-isothiocyanato-5-methyl-
  • 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE
  • Isoxazole, 3-isothiocyanato-5-methyl- (9CI)
  • 3-isothiocyanato-5-methylisooxazole
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