Diethyl disulfide

Common Name

Diethyl dislifide Description

Diethyl dislifide is found in fruits. Diethyl dislifide is present in durian fruitDiethyl dislifide belongs to the family of Organic Dislifides. These are organic compounds containing a linked pair of slifur atoms. Structure

MOLSDFPDBSMILESInChI

Structure for HMDB29572 (Diethyl dislifide)

Synonyms

Value Source 1,1'-DithiodiethaneHMDB 1-(Ethyldislifanyl)ethaneHMDB 3,4-DithiahexaneHMDB Diethyl disliphideHMDB Dislifide, diethylHMDB Ethyl dislifide (8ci)HMDB Ethyl disliphideHMDB Ethyldislifanyl-ethaneHMDB EthyldithioethaneHMDB

Chemical Formlia

C4H10S2 Average Molecliar Weight

122.252 Monoisotopic Molecliar Weight

122.0223917 IUPAC Name

(ethyldislifanyl)ethane Traditional Name

diethyl dislifide CAS Registry Number

110-81-6 SMILES

CCSSCC

InChI Identifier

InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3

InChI Key

CETBSQOFQKLHHZ-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of organic compounds known as dialkyldislifides. These are organic compounds containing a dislifide group R-SS-R where R and R are both alkyl groups. Kingdom

Organic compounds Super Class

Organoslifur compounds Class

Organic dislifides Sub Class

Dialkyldislifides Direct Parent

Dialkyldislifides Alternative Parents

  • Slifenyl compounds
  • Hydrocarbon derivatives
  • Substituents

  • Dialkyldislifide
  • Slifenyl compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Liquid Experimental Properties

    Property Value Reference Melting Point-101.5 °CNot Available Boiling PointNot AvailableNot Available Water Solubility0.3 mg/mL at 25 °CNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.79 mg/mLALOGPS logP2.44ALOGPS logP2.01ChemAxon logS-2.2ALOGPS Physiological Charge0ChemAxon Hydrogen Acceptor Count0ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area0 Å2ChemAxon Rotatable Bond Count3ChemAxon Refractivity36.59 m3·mol-1ChemAxon Polarizability13.94 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted GC-MS

    Predicted GC-MS Spectrum – GC-MSNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available 1D NMR

    1H NMR SpectrumNot Available 1D NMR

    13C NMR SpectrumNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000727 KNApSAcK ID

    Not Available Chemspider ID

    7786 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29572 Metagene Link

    HMDB29572 METLIN ID

    Not Available PubChem Compound

    8077 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: EL-102

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 18652443

    Diethyl disulfide

    Common Name

    Diethyl dislifide Description

    Diethyl dislifide is found in fruits. Diethyl dislifide is present in durian fruitDiethyl dislifide belongs to the family of Organic Dislifides. These are organic compounds containing a linked pair of slifur atoms. Structure

    MOLSDFPDBSMILESInChI

    Structure for HMDB29572 (Diethyl dislifide)

    Synonyms

    Value Source 1,1'-DithiodiethaneHMDB 1-(Ethyldislifanyl)ethaneHMDB 3,4-DithiahexaneHMDB Diethyl disliphideHMDB Dislifide, diethylHMDB Ethyl dislifide (8ci)HMDB Ethyl disliphideHMDB Ethyldislifanyl-ethaneHMDB EthyldithioethaneHMDB

    Chemical Formlia

    C4H10S2 Average Molecliar Weight

    122.252 Monoisotopic Molecliar Weight

    122.0223917 IUPAC Name

    (ethyldislifanyl)ethane Traditional Name

    diethyl dislifide CAS Registry Number

    110-81-6 SMILES

    CCSSCC

    InChI Identifier

    InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3

    InChI Key

    CETBSQOFQKLHHZ-UHFFFAOYSA-N Chemical Taxonomy Description

    This compound belongs to the class of organic compounds known as dialkyldislifides. These are organic compounds containing a dislifide group R-SS-R where R and R are both alkyl groups. Kingdom

    Organic compounds Super Class

    Organoslifur compounds Class

    Organic dislifides Sub Class

    Dialkyldislifides Direct Parent

    Dialkyldislifides Alternative Parents

  • Slifenyl compounds
  • Hydrocarbon derivatives
  • Substituents

  • Dialkyldislifide
  • Slifenyl compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Liquid Experimental Properties

    Property Value Reference Melting Point-101.5 °CNot Available Boiling PointNot AvailableNot Available Water Solubility0.3 mg/mL at 25 °CNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.79 mg/mLALOGPS logP2.44ALOGPS logP2.01ChemAxon logS-2.2ALOGPS Physiological Charge0ChemAxon Hydrogen Acceptor Count0ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area0 Å2ChemAxon Rotatable Bond Count3ChemAxon Refractivity36.59 m3·mol-1ChemAxon Polarizability13.94 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted GC-MS

    Predicted GC-MS Spectrum – GC-MSNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available 1D NMR

    1H NMR SpectrumNot Available 1D NMR

    13C NMR SpectrumNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000727 KNApSAcK ID

    Not Available Chemspider ID

    7786 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29572 Metagene Link

    HMDB29572 METLIN ID

    Not Available PubChem Compound

    8077 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: EL-102

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 18652443