CHEBI:169584 - Propyl propane thiosulfonate

ChEBI IDCHEBI:169584
ChEBI NamePropyl propane thiosulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H14O2S2
Net Charge0
Average Mass182.310
Monoisotopic Mass182.04352
SMILESCCCSS(=O)(=O)CCC
InChIInChI=1S/C6H14O2S2/c1-3-5-9-10(7,8)6-4-2/h3-6H2,1-2H3
InChIKeyOUIASSQOLAEHIR-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)
Propyl propane thiosulfonate (CHEBI:169584) is a sulfone (CHEBI:35850)
IUPAC Name 
1-propylsulonylsulanylpropane
Manual XrefsDatabases
461363ChemSpider
Registry NumbersSources
CAS:1113-13-9ChemIDplus