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CAS 629-12-9

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Pentyl isothiocyanate

Description:
Pentyl isothiocyanate, with the CAS number 629-12-9, is an organic compound characterized by its isothiocyanate functional group attached to a pentyl chain. It is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among 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. Pentyl isothiocyanate is soluble in organic solvents but has limited solubility in water, reflecting its hydrophobic nature. It can be synthesized through the reaction of pentylamine with carbon disulfide followed by treatment with a halogen source. As with many isothiocyanates, it can undergo hydrolysis to form thiocarbamates and other derivatives. Safety precautions should be taken when handling this compound, as it can be irritating to the skin and respiratory system. Overall, pentyl isothiocyanate serves as a valuable compound in various chemical and biological applications.
Formula:C6H11NS
InChI:InChI=1/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChI key:InChIKey=SGHJUJBYMSVAJY-UHFFFAOYSA-N
SMILES:C(CN=C=S)CCC
Synonyms:
  • 1-Isothiocyanatopentane
  • 1-Pentyl isothiocyanate
  • Amyl isothiocyanate
  • Isothiocyanic acid, pentyl ester
  • Pentane, 1-isothiocyanato-
  • n-Pentyl isothiocyanate
  • Pentyl isothiocyanate
  • Pentyl isothiocyanate, 95+%
  • Amyl mustard oil
  • N-AMYL ISOTHIOCYANATE
  • See more synonyms
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