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CAS 505-79-3

:

3-Methylthiopropyl isothiocyanate

Description:
3-Methylthiopropyl isothiocyanate, with the CAS number 505-79-3, is an organic compound belonging to the class of isothiocyanates, which are characterized by the presence of the isothiocyanate functional group (-N=C=S). This compound is typically derived from cruciferous vegetables and is known for its pungent odor and potential biological activity. It is a colorless to pale yellow liquid at room temperature and is soluble in organic solvents. The presence of the methylthio group contributes to its unique chemical properties and reactivity. Isothiocyanates, including 3-methylthiopropyl isothiocyanate, are studied for their potential health benefits, including anti-cancer properties and antimicrobial activity. However, they can also be irritants and should be handled with care. In terms of applications, this compound may be utilized in the food industry for flavoring or as a natural pesticide due to its bioactive properties. Overall, 3-methylthiopropyl isothiocyanate is a compound of interest in both chemistry and health sciences.
Formula:C5H9NS2
InChI:InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChI key:InChIKey=LDKSCZJUIURGMW-UHFFFAOYSA-N
SMILES:C(CN=C=S)CSC
Synonyms:
  • 1-Isothiocyanato-3-(Methylsulfanyl)Propane
  • 1-Isothiocyanato-3-(methylthio)propane
  • 1-Isothiocyanato-3-methylsulfanylpropane
  • 3-Methylmercaptopropyl isothiocyanate
  • 3-Methylsulfanylpropylisothiocyanate
  • 3-Methylthiopropyl isothiocyanate
  • FEMA No. 3312
  • Iberverin
  • Isothiocyanic acid, 3-(methylthio)propyl ester
  • Propane, 1-isothiocyanato-3-(methylthio)-
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