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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 04:44, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 451364369 of page Allyl_isothiocyanate for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 04:44, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 451364369 of page Allyl_isothiocyanate for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 451364369 of page Allyl_isothiocyanate with values updated to verified values.
Allyl isothiocyanate
Allyl isothiocyanate
Space-filling model of allyl isothiocyanate
Names
IUPAC name 3-Isothiocyanato-1-propene
Other names synthetic mustard oil
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N
  • InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2Key: ZOJBYZNEUISWFT-UHFFFAOYAS
SMILES
  • C=CCN=C=S
Properties
Chemical formula C4H5NS
Molar mass 99.15 g·mol
Density 1.013–1.020 g/cm
Melting point −102 °C (−152 °F; 171 K)
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