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CAS 4404-51-7

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2-methylbutyl isothiocyanate

Description:
2-Methylbutyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a branched alkyl chain. It is derived from the corresponding thiourea and is known for its pungent odor, which is typical of many isothiocyanates. This compound is typically a colorless to pale yellow liquid and is soluble in organic solvents but has limited solubility in water. 2-Methylbutyl isothiocyanate is primarily studied for its potential applications in the fields of agriculture as a pesticide and in food science for its flavoring properties. Additionally, it exhibits biological activity, including antimicrobial and antifungal properties, making it of interest in various research areas. Safety considerations are important when handling this compound, as isothiocyanates can be irritants and may pose health risks if inhaled or ingested. Proper safety protocols should be followed to mitigate exposure risks.
Formula:C6H11NS
InChI:InChI=1/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3/t6-/m0/s1
SMILES:CC[C@H](C)CN=C=S
Synonyms:
  • 1-Isothiocyanato-2-Methylbutane
  • (2R)-1-isothiocyanato-2-methylbutane
  • (2S)-1-isothiocyanato-2-methylbutane
  • 2-Methylbutyl isothiocyanate
  • 2-Methyl-1-butyl isothiocyanate, 95%
  • Butane, 1-isothiocyanato-2-methyl-
  • 2-Methylbutyl isothiocyanate, 95+%
  • 2-Methylbutyl isothiocyate, 98%
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