EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138747 - 4-isothiocyanato-1-butene

Default Structure
ChEBI IDCHEBI:138747
ChEBI Name4-isothiocyanato-1-butene
Stars
Last Modified23 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC5H7NS
Net Charge0
Average Mass113.185
Monoisotopic Mass113.02992
SMILESC=CCCN=C=S
InChIInChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
InChIKeySKIHGKNFJKJXPX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-isothiocyanato-1-butene (CHEBI:138747) is a isothiocyanate (CHEBI:52221)
Manual XrefsDatabases
69373ChemSpider
HMDB0033867HMDB