DIETHYL SULFIDE (CHEM005336)

Record Information
Version1.0
Creation Date2016-05-19 02:00:48 UTC
Update Date2026-08-22 15:33:11 UTC
Accession NumberCHEM005336
Identification
Common NameDIETHYL SULFIDE
ClassSmall Molecule
Description
An ethyl sulfide compound having two ethyl groups attached to a sulfur atom.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(C2H5)2SChEBI
1,1'-ThiobisethaneChEBI
1-(Ethylsulfanyl)ethaneChEBI
3-ThiapentaneChEBI
Diethyl sulphideChEBI
Diethyl thioetherChEBI
DiethylthioetherChEBI
Ethyl monosulfideChEBI
Ethyl sulfideChEBI
Ethyl thioetherChEBI
EthylthioethaneChEBI
Thioethyl etherChEBI
1-(Ethylsulphanyl)ethaneGenerator
Ethyl monosulphideGenerator
Ethyl sulphideGenerator
EthylsulphanylethaneGenerator, HMDB
Diethyl sulfideGenerator
(C2-C7) AlkyldisulfidesHMDB
1,1'-Thiobis-ethaneHMDB
1,1'-Thiobisethane, 9ciHMDB
1,1'-ThiodiethaneHMDB
1,1-ThiobisethaneHMDB
DiethylsulfidHMDB
Disulfides, C2-7-alkylHMDB
Ethyl sulfide, 8ciHMDB
Ethylsulfanyl-ethaneHMDB
FEMA 3825HMDB
SulfodorHMDB
Chemical FormulaC4H10S
Average Molecular Mass90.187 g/mol
Monoisotopic Mass90.050 g/mol
CAS Registry Number352-93-2
IUPAC Name(ethylsulfanyl)ethane
Traditional Nameethyl sulfide
SMILESCCSCC
InChI IdentifierInChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChI KeyLJSQFQKUNVCTIA-UHFFFAOYSA-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 Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.87 g/LALOGPS
logP2.46ALOGPS
logP1.73ChemAxon
logS-1.7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity28.49 m³·mol⁻¹ChemAxon
Polarizability11.27 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0031666
FooDB IDFDB008326
Phenol Explorer IDNot Available
KNApSAcK IDC00050410
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDiethyl_sulfide
Chemspider ID9233
ChEBI ID27710
PubChem Compound ID9609
Kegg Compound IDC02272
YMDB IDYMDB01672
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16233376
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24140876
3. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.