CHEBI:63861 - 2-methylthioethanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methylthioethanol
ChEBI ID CHEBI:63861
Definition A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C3H8OS
Net Charge 0
Average Mass 92.16000
Monoisotopic Mass 92.02959
InChI InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKey WBBPRCNXBQTYLF-UHFFFAOYSA-N
SMILES CSCCO
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-Hydroxy-2-(methylthio)-ethane NIST Chemistry WebBook
2-(methylsulfanyl)ethanol UniProt
2-(Methylthio)ethanol ChemIDplus
2-Hydroxyethyl methyl sulfide NIST Chemistry WebBook
2-Methylmercaptoethanol NIST Chemistry WebBook
β-(methylthio)ethanol NIST Chemistry WebBook
β-hydroxyethyl methyl sulfide NIST Chemistry WebBook
β-methylmercaptoethanol NIST Chemistry WebBook
Hydroxyethyl methyl sulfide NIST Chemistry WebBook
Methyl 2-hydroxyethyl sulfide NIST Chemistry WebBook
Methylthioethanol ChemIDplus
S-Methylmercaptoethanol NIST Chemistry WebBook
Manual Xrefs Databases
HMDB0032425 HMDB
RU2436770 Patent
View more database links
Registry Numbers Types Sources
1731081 Reaxys Registry Number Reaxys
5271-38-5 CAS Registry Number NIST Chemistry WebBook
5271-38-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15237961 PubMed citation Europe PMC
21094391 PubMed citation Europe PMC
3616261 PubMed citation Europe PMC
6976954 PubMed citation Europe PMC
Last Modified
02 September 2024