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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:49:40 UTC
Update Date2023-02-21 17:22:05 UTC
HMDB IDHMDB0032411
Secondary Accession Numbers
  • HMDB32411
Metabolite Identification
Common Name2-Methyl-1-methylthio-2-butene
Description2-Methyl-1-methylthio-2-butene belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. 2-Methyl-1-methylthio-2-butene is a cooked, meaty, and roasted tasting compound. Based on a literature review very few articles have been published on 2-Methyl-1-methylthio-2-butene.
Structure
Thumb
Synonyms
ValueSource
1-(methylthio)-2-Methylbut-2-eneHMDB
2-Methyl-1-(methylthio)-2-buteneHMDB
(2E)-2-Methyl-1-(methylsulphanyl)but-2-eneGenerator
Chemical FormulaC6H12S
Average Molecular Weight116.224
Monoisotopic Molecular Weight116.065971074
IUPAC Name(2E)-2-methyl-1-(methylsulfanyl)but-2-ene
Traditional Name(2E)-2-methyl-1-(methylsulfanyl)but-2-ene
CAS Registry Number89534-74-7
SMILES
CSC\C(C)=C\C
InChI Identifier
InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+
InChI KeyPBWZEERIWACABP-GQCTYLIASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThioethers
Sub ClassDialkylthioethers
Direct ParentDialkylthioethers
Alternative Parents
Substituents
  • Dialkylthioether
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009849
KNApSAcK IDNot Available
Chemspider ID4515297
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5362832
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .