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CHEBI:169269 - 2,4,6-Trimethyl-1,3,5-trithiane

ChEBI IDCHEBI:169269
ChEBI Name2,4,6-Trimethyl-1,3,5-trithiane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H12S3
Net Charge0
Average Mass180.363
Monoisotopic Mass180.01011
SMILESCC1SC(C)SC(C)S1
InChIInChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeyXQVYLDFSPBXACS-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)
2,4,6-Trimethyl-1,3,5-trithiane (CHEBI:169269) is a trithiane (CHEBI:39195)
IUPAC Name 
2,4,6-trimethyl-1,3,5-trithiane
Manual XrefsDatabases
16728ChemSpider
HMDB0031671HMDB
Registry NumbersSources
CAS:2765-04-0ChemIDplus