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CAS 321309-27-7

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3,5-dimethyl-4-isoxazolyl isothiocyanate

Description:
3,5-Dimethyl-4-isoxazolyl isothiocyanate is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. The presence of the isoxazole ring contributes to its unique properties, including potential applications in medicinal chemistry and agrochemicals. This compound typically exhibits a yellow to brownish color and has a pungent odor, characteristic of isothiocyanates. It is soluble in organic solvents but may have limited solubility in water. The compound is of interest due to its potential use in research related to cancer biology and as a bioactive agent, as isothiocyanates are known for their anticancer properties. Additionally, it may serve as a building block in the synthesis of more complex molecules. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, 3,5-dimethyl-4-isoxazolyl isothiocyanate represents a valuable compound in both synthetic and biological chemistry contexts.
Formula:C6H6N2OS
InChI:InChI=1/C6H6N2OS/c1-4-6(7-3-10)5(2)9-8-4/h1-2H3
SMILES:Cc1c(c(C)on1)N=C=S
Synonyms:
  • 4-Isothiocyanato-3,5-Dimethylisoxazole
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