Allicin

CAS Registry Number®

539-86-6

CAS Name

Allicin

Molecular Formula

C6H10OS2

Molecular Mass

162.28

Cite this Page

Allicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=539-86-6 (retrieved 2025-07-04) (CAS RN: 539-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    37 °C (decomp)

  • Density (2)

    0.91975 g/cm³ @ Temp: 22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2

InChIKey

InChIKey=JDLKFOPOAOFWQN-UHFFFAOYSA-N

SMILES

S(SCC=C)(CC=C)=O

Canonical SMILES

O=S(SCC=C)CC=C

Other Names for this Substance

  • 2-Propene-1-sulfinothioic acid, S-2-propen-1-yl ester
  • 2-Propene-1-sulfinic acid, thio-, S-allyl ester
  • Allicin
  • 2-Propene-1-sulfinothioic acid, S-2-propenyl ester
  • Diallyl thiosulfinate

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CAS INSIGHTSTM
Aspergillus fungus, computer illustration. This is a toxic fungus that causes diseases in humans.