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CHEBI:180375 - 1-Isothiocyanato-7-(methylthio)heptane

ChEBI IDCHEBI:180375
ChEBI Name1-Isothiocyanato-7-(methylthio)heptane
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H17NS2
Net Charge0
Average Mass203.376
Monoisotopic Mass203.08024
SMILESCSCCCCCCCN=C=S
InChIInChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
InChIKeyLDIRGNDMTOGVRB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Isothiocyanato-7-(methylthio)heptane (CHEBI:180375) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
1-isothiocyanato-7-methylsulanylheptane
Manual XrefsDatabases
8300665ChemSpider
HMDB0038440HMDB