CHEBI:169584 - Propyl propane thiosulfonate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Propyl propane thiosulfonate
ChEBI ID CHEBI:169584
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H14O2S2
Net Charge 0
Average Mass 182.300
Monoisotopic Mass 182.04352
InChI InChI=1S/C6H14O2S2/c1-3-5-9-10(7,8)6-4-2/h3-6H2,1-2H3
InChIKey OUIASSQOLAEHIR-UHFFFAOYSA-N
SMILES S(SCCC)(=O)(=O)CCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Propyl propane thiosulfonate (CHEBI:169584) is a sulfone (CHEBI:35850)
IUPAC Name
1-propylsulonylsulanylpropane
Manual Xref Database
461363 ChemSpider
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Registry Number Type Source
1113-13-9 CAS Registry Number ChemIDplus