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CHEBI:63861 - 2-methylthioethanol

ChEBI IDCHEBI:63861
ChEBI Name2-methylthioethanol
Stars
DefinitionA primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.
Last Modified2 September 2024
SubmitterSteve
DownloadsMolfile
FormulaC3H8OS
Net Charge0
Average Mass92.163
Monoisotopic Mass92.02959
SMILESCSCCO
InChIInChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyWBBPRCNXBQTYLF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2-methylthioethanol (CHEBI:63861) has functional parent mercaptoethanol (CHEBI:41218)
2-methylthioethanol (CHEBI:63861) has role plant metabolite (CHEBI:76924)
2-methylthioethanol (CHEBI:63861) has role xenobiotic metabolite (CHEBI:76206)
2-methylthioethanol (CHEBI:63861) is a aliphatic sulfide (CHEBI:22327)
2-methylthioethanol (CHEBI:63861) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-(methylsulfanyl)ethanol
Synonyms  Source
1-Hydroxy-2-(methylthio)-ethaneNIST Chemistry WebBook
2-Hydroxyethyl methyl sulfideNIST Chemistry WebBook
2-MethylmercaptoethanolNIST Chemistry WebBook
2-(Methylthio)ethanolChemIDplus
Hydroxyethyl methyl sulfideNIST Chemistry WebBook
Methyl 2-hydroxyethyl sulfideNIST Chemistry WebBook
UniProt Name  Source
2-(methylsulfanyl)ethanolUniProt
Manual XrefsDatabases
HMDB0032425HMDB
RU2436770Patent
Registry NumbersSources
Reaxys:1731081Reaxys
CAS:5271-38-5ChemIDplus
CAS:5271-38-5NIST Chemistry WebBook
Citations