CHEBI:177039 - 1-Isothiocyanato-6-(methylsulfonyl)-hexane

ChEBI IDCHEBI:177039
ChEBI Name1-Isothiocyanato-6-(methylsulfonyl)-hexane
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15NO2S2
Net Charge0
Average Mass221.347
Monoisotopic Mass221.05442
SMILESCS(=O)(=O)CCCCCCN=C=S
InChIInChI=1S/C8H15NO2S2/c1-13(10,11)7-5-3-2-4-6-9-8-12/h2-7H2,1H3
InChIKeyCLJXLUXFLFBKAS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Isothiocyanato-6-(methylsulfonyl)-hexane (CHEBI:177039) is a sulfone (CHEBI:35850)
IUPAC Name 
1-isothiocyanato-6-methylsulonylhexane
Manual XrefsDatabases
24608100ChemSpider