CHEBI:169455 - Diisopropyl sulfide

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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 Diisopropyl sulfide
ChEBI ID CHEBI:169455
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H14S
Net Charge 0
Average Mass 118.240
Monoisotopic Mass 118.08162
InChI InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey XYWDPYKBIRQXQS-UHFFFAOYSA-N
SMILES S(C(C)C)C(C)C
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 Diisopropyl sulfide (CHEBI:169455) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name
2-propan-2-ylsulanylpropane
Manual Xrefs Databases
11761 ChemSpider
HMDB0029579 HMDB
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Registry Number Type Source
625-80-9 CAS Registry Number ChemIDplus