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Identification
YMDB IDYMDB01674
NameDimethyl sulfide
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionDimethyl sulfide (DMS) or methylthiomethane is an organosulfur component of the smell produced from cooking of certain vegetables, notably maize, cabbage, beetroot and seafoods. It is also an indication of bacterial infection in malt production and brewing. It is a breakdown product of dimethylsulfoniopropionate (DMSP), and is also produced by the bacterial metabolism of methanethiol. It is responsible for asparagus-like, mushroom, truffle or cabbage like aromas.
Structure
Thumb
Synonyms
  • (Methylsulfanyl)methane
  • [SMe2]
  • 2-Thiapropane
  • 2-Thiopropane
  • Dimethyl monosulfide
  • Dimethyl sulfide
  • Dimethyl sulfide (natural)
  • Dimethyl sulfoxide(reduced)
  • Dimethyl thioether
  • Dimethylsulfid
  • Dimethylsulphide
  • DMS
  • Methanethiomethane
  • Methyl monosulfide
  • Methyl sulfide
  • Methyl sulphide
  • Methyl thioether
  • Methylthiomethane
  • Methylthiomethyl radical
  • MSM
  • Reduced-dmso
  • Thiobis-methane
  • Thiopropane
  • Dimethyl sulphide
  • (METHYLsulphanyl)methane
CAS number75-18-3
WeightAverage: 62.134
Monoisotopic: 62.019020882
InChI KeyQMMFVYPAHWMCMS-UHFFFAOYSA-N
InChIInChI=1S/C2H6S/c1-3-2/h1-2H3
IUPAC Name(methylsulfanyl)methane
Traditional IUPAC Namedimethyl sulfide
Chemical FormulaC2H6S
SMILESCSC
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 Descriptors
Physical Properties
StateLiquid
Charge0
Melting point-98.3 °C
Experimental Properties
PropertyValueReference
Water Solubility22 mg/mL at 25 oC [SUZUKI,T (1991)]PhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility18.5 g/LALOGPS
logP0.59ALOGPS
logP1.22ChemAxon
logS-0.53ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity18.89 m³·mol⁻¹ChemAxon
Polarizability7.24 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic Properties
Flavour/OdourSource
CabbageFDB003591
GasolineFDB003591
GreenFDB003591
OnionFDB003591
RadishFDB003591
SulfurFDB003591
SulfurousFDB003591
SulfuryFDB003591
Sweet cornFDB003591
TomatoFDB003591
VegetableFDB003591
WildFDB003591
SMPDB PathwaysNot Available
KEGG PathwaysNot Available
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID17437
HMDB IDHMDB02303
Pubchem Compound ID1068
Kegg IDC00580
ChemSpider ID1039
FOODB IDFDB003591
Wikipedia IDDimethyl_sulfide
BioCyc IDNot Available