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allyl isothiocyanate

Go to external page http://purl.obolibrary.org/obo/CHEBI_73224

An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.

Term info

Label

allyl isothiocyanate

Synonyms
  • 3-isothiocyanatoprop-1-ene
database cross reference
Subsets

3_STAR

IUPAC NAME
3-isothiocyanatoprop-1-ene [ IUPAC ]

charge

0

formula

C4H5NS

has obo namespace

chebi_ontology

has related synonym

isothiocyanate d'allyle, allyl mustard oil, oil of mustard, volatile mustard oil, 2-propenyl isothiocyanate, 3-isothiocyanato-1-propene, AITC, Mustard oil, AIT, Allylsenfoel, isothiocyanic acid allyl ester, Senf oel, volatile oil of mustard, oleum sinapis, allyl isosulfocyanate, 3-Isothiocyanato-1-propene

id

CHEBI:73224

inchi

InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

inchikey

ZOJBYZNEUISWFT-UHFFFAOYSA-N

mass

99.15400

monoisotopicmass

99.01427

smiles

C=CCN=C=S