CHEBI:138799 - 1-isothiocyanato-6-(methylsulfinyl)hexane

ChEBI IDCHEBI:138799
ChEBI Name1-isothiocyanato-6-(methylsulfinyl)hexane
Stars
Last Modified23 October 2017
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DownloadsMolfile
FormulaC8H15NOS2
Net Charge0
Average Mass205.348
Monoisotopic Mass205.05951
SMILESCS(=O)CCCCCCN=C=S
InChIInChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
InChIKeyXQZVZULJKVALRI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-isothiocyanato-6-(methylsulfinyl)hexane (CHEBI:138799) is a sulfoxide (CHEBI:22063)
Synonym  Source
6-(methylsulfinyl)hexyl isothiocyanateChEBI
Manual XrefsDatabases
7991398ChemSpider
HMDB0038461HMDB