ALLYL-ISOTHIOCYANATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5971
Name
ALLYL-ISOTHIOCYANATE
IUPAC name
3-isothiocyanatoprop-1-ene
SMILES
C=CCN=C=S
Molecular formula
C4H5NS
Molecular weight
99.16 g/mol
Monoisotopic mass
99.0143 Da
Pathway:
-
Superclass:
-
Class:
-
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Alliaria petiolata (M.Bieb.) Cavara & Grande | - | 40-460 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|