SULFORAPHANE

Structure

2D structure of SULFORAPHANE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5350

Names and identifiers

Name

SULFORAPHANE

IUPAC name

1-isothiocyanato-4-(methylsulfinyl)butane

SMILES

CS(=O)CCCCN=C=S

General information

Molecular formula

C6H11NOS2

Molecular weight

177.29 g/mol

Monoisotopic mass

177.0282 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Lepidium draba L. subsp. draba - -
Prochazka, Z. (1975). New data on sulforaphane from Lepidium draba. Abstr Proc Conf Med Pl(Marienbad), 47
Lepidium draba L. subsp. draba leaf -
Prochazka, Z. (1959). Isolation of sulforaphane from hoary cress (Lepidium draba L.). Collect Czech Chem Commun, 24(7), 2429-2340 doi:10.1135/cccc19592429