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 |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 18652443