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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 11:57, 6 March 2012 (Saving copy of the {{chembox}} taken from revid 479510524 of page Phenethyl_isothiocyanate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 11:57, 6 March 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 479510524 of page Phenethyl_isothiocyanate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 479510524 of page Phenethyl_isothiocyanate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (2-Isothiocyanatoethyl)benzene
Other names Phenylethyl isothiocyanate; Phenethyl mustard oil
Identifiers
3D model (JSmol)
Abbreviations PEITC
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N
  • InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2Key: IZJDOKYDEWTZSO-UHFFFAOYAB
SMILES
  • S=C=N/CCc1ccccc1
Properties
Chemical formula C9H9NS
Molar mass 163.24 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound