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CHEBI:138800 - 1-isothiocyanato-7-(methylsulfinyl)heptane

ChEBI IDCHEBI:138800
ChEBI Name1-isothiocyanato-7-(methylsulfinyl)heptane
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Last Modified31 January 2019
Submittermwilliams
DownloadsMolfile
FormulaC9H17NOS2
Net Charge0
Average Mass219.375
Monoisotopic Mass219.07516
SMILESCS(=O)CCCCCCCN=C=S
InChIInChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3
InChIKeyOGYHCBGORZWBPH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-isothiocyanato-7-(methylsulfinyl)heptane (CHEBI:138800) is a sulfoxide (CHEBI:22063)
Synonym  Source
7-methylsulfinylheptyl isothiocyanateChEBI
Manual XrefsDatabases
8013088ChemSpider