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CAS 591-82-2

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Isobutyl isothiocyanate

Description:
Isobutyl isothiocyanate, with the CAS number 591-82-2, is an organic compound characterized by its isothiocyanate functional group attached to an isobutyl chain. It is a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is typical of isothiocyanates. This compound is known for its potential biological activity, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. Isobutyl isothiocyanate is soluble in organic solvents but has limited solubility in water. It is relatively stable under normal conditions but can undergo hydrolysis in the presence of moisture, leading to the formation of thiourea derivatives. Due to its reactivity, it can participate in various chemical reactions, including nucleophilic substitutions. Safety precautions are necessary when handling this compound, as it can be irritating to the skin, eyes, and respiratory system. Overall, isobutyl isothiocyanate serves as a valuable compound in research and potential applications in agriculture and pharmaceuticals.
Formula:C5H9NS
InChI:InChI=1/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChI key:InChIKey=NSDDRJXKROCWRZ-UHFFFAOYSA-N
SMILES:C(C(C)C)N=C=S
Synonyms:
  • 1-Isothiocyanato-2-methylpropane
  • 2-Methyl-1-propyl isothiocyanate
  • 2-Methylpropyl isothiocyanate
  • Brn 1740371
  • Einecs 209-733-2
  • Isothiocyanic acid, isobutyl ester
  • Propane, 1-isothiocyanato-2-methyl-
  • i-Butyl isothiocyanate
  • Isobutyl isothiocyanate
  • 4-04-00-00653 (Beilstein Handbook Reference)
  • See more synonyms
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