CHEBI:169692 - 4,4'-Thiobis-2-butanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4,4'-Thiobis-2-butanone
ChEBI ID CHEBI:169692
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O2S
Net Charge 0
Average Mass 174.260
Monoisotopic Mass 174.07145
InChI InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3
InChIKey CIBUHUTVSRPCRO-UHFFFAOYSA-N
SMILES S(CCC(=O)C)CCC(=O)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 4,4'-Thiobis-2-butanone (CHEBI:169692) is a ketone (CHEBI:17087)
IUPAC Name
4-(3-oxobutylsulanyl)butan-2-one
Manual Xrefs Databases
55839 ChemSpider
HMDB0037155 HMDB
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Registry Number Type Source
40790-04-3 CAS Registry Number ChemIDplus