CHEBI:138747 - 4-isothiocyanato-1-butene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-isothiocyanato-1-butene
ChEBI ID CHEBI:138747
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C5H7NS
Net Charge 0
Average Mass 113.182
Monoisotopic Mass 113.02992
InChI InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
InChIKey SKIHGKNFJKJXPX-UHFFFAOYSA-N
SMILES S=C=NCCC=C
ChEBI Ontology
Outgoing 4-isothiocyanato-1-butene (CHEBI:138747) is a isothiocyanate (CHEBI:52221)
Manual Xrefs Databases
69373 ChemSpider
HMDB0033867 HMDB
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Last Modified
23 October 2017