Sulforaphane

CAS Registry Number®

4478-93-7
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CAS Name

Sulforaphane

Molecular Formula

C6H11NOS2

Molecular Mass

177.29

Cite this Page

Sulforaphane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4478-93-7 (retrieved 2024-04-20) (CAS RN: 4478-93-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    125-135 °C @ Press: 0.01 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

InChIKey

InChIKey=SUVMJBTUFCVSAD-UHFFFAOYSA-N

SMILES

C(CCN=C=S)CS(C)=O

Canonical SMILES

O=S(C)CCCCN=C=S

Other Names for this Substance

  • Butane, 1-isothiocyanato-4-(methylsulfinyl)-
  • Isothiocyanic acid, 4-(methylsulfinyl)butyl ester
  • Sulforaphan
  • 1-Isothiocyanato-4-(methylsulfinyl)butane
  • Sulforaphane

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Deleted or Replaced CAS Registry Numbers

142925-33-5

CAS INSIGHTSTM
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