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CHEBI:169455 - Diisopropyl sulfide

ChEBI IDCHEBI:169455
ChEBI NameDiisopropyl sulfide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H14S
Net Charge0
Average Mass118.245
Monoisotopic Mass118.08162
SMILESCC(C)SC(C)C
InChIInChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKeyXYWDPYKBIRQXQS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Diisopropyl sulfide (CHEBI:169455) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name 
2-propan-2-ylsulanylpropane
Manual XrefsDatabases
11761ChemSpider
HMDB0029579HMDB
Registry NumbersSources
CAS:625-80-9ChemIDplus