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allyl isothiocyanate
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.


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08. Chemical Category: main group molecular entity [CHEBI:33579]
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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > apoptosis inducer [CHEBI:68495]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 apoptosis inducer [CHEBI:68495] (23) 
 allyl isothiocyanate [CHEBI:73224] (1)
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 allyl isothiocyanate [CHEBI:73224] (1)
 biophysical uses [CHEBI:52208] (136) 
 lachrymator [CHEBI:74136] (3) 
 allyl isothiocyanate [CHEBI:73224] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 allyl isothiocyanate [CHEBI:73224] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 allyl isothiocyanate [CHEBI:73224] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 sulfur molecular entity [CHEBI:26835] (1541) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 allyl isothiocyanate [CHEBI:73224] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 allyl isothiocyanate [CHEBI:73224] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 allyl isothiocyanate [CHEBI:73224] (1)
ChEBI Compound Accession Identifier  [CHEBI:73224]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  73224
ChEBI InChI Value  InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
ChEBI InChIKey Value  ZOJBYZNEUISWFT-UHFFFAOYSA-N
ChEBI Compound Name  allyl isothiocyanate
ChEBI SMILES Value  C=CCN=C=S
ChEBI Substance ID  163626730
ChEBI URL  ChEBI:73224
ChemSpider ID  21105854
Ontomatica Chemical Accession Key (OnChAKey)  ZOJBYZNEUISWFT_UHFFFAOYSA_N_000_000000
PubChem Compound ID  5971