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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 05:17, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 476404258 of page Allicin for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 05:17, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 476404258 of page Allicin for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 476404258 of page Allicin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Structural formula of R-allicin
Structural formula of R-allicin
Ball and stick model of R-allicin
Ball and stick model of R-allicin
Names
Preferred IUPAC name 2-Propene-1-sulfinothioic acid S-2-propenyl ester
Systematic IUPAC name 3-prop-1-ene
Identifiers
3D model (JSmol)
Beilstein Reference 1752823
ChEBI
ChEMBL
ChemSpider
EC Number
  • 208-727-7
IUPHAR/BPS
KEGG
MeSH Allicin
PubChem CID
UNII
InChI
  • InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2Key: JDLKFOPOAOFWQN-UHFFFAOYSA-N
  • InChI=1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2Key: JDLKFOPOAOFWQN-UHFFFAOYAO
SMILES
  • O=S(SC\C=C)C\C=C
  • C=CCSS(=O)CC=C
Properties
Chemical formula C6H10OS2
Molar mass 162.26 g·mol
Appearance Colourless liquid
Density 1.112 g cm
Melting point <25 °C
Boiling point decomposes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound