DIPROPYL TRISULFIDE (CHEM005477)

Record Information
Version1.0
Creation Date2016-05-19 02:02:41 UTC
Update Date2026-08-23 07:34:50 UTC
Accession NumberCHEM005477
Identification
Common NameDIPROPYL TRISULFIDE
ClassSmall Molecule
Description
Dipropyl trisulfide is found in garden onion. Dipropyl trisulfide is a component of onion oil. Dipropyl trisulfide is a flavouring ingredient.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Dipropyl trisulphideGenerator
1,3-DipropyltrisulfaneHMDB
4,5,6-TrithianonaneHMDB
Di-N-propyl trisulfideHMDB
FEMA 3276HMDB
Propyl trisulfideHMDB
Trisulfide, dipropylHMDB
DipropyltrisulphaneGenerator
Dipropyl trisulfideMeSH
Chemical FormulaC6H14S3
Average Molecular Mass182.370 g/mol
Monoisotopic Mass182.026 g/mol
CAS Registry Number6028-61-1
IUPAC Namedipropyltrisulfane
Traditional Nametrisulfide, dipropyl
SMILESCCCSSSCCC
InChI IdentifierInChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChI KeyGAZXPZNJTZIGBO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassOrganic trisulfides
Sub ClassNot Available
Direct ParentOrganic trisulfides
Alternative Parents
Substituents
  • Organic trisulfide
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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 Solubility0.16 g/LALOGPS
logP3.37ALOGPS
logP3.65ChemAxon
logS-3.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.39 m³·mol⁻¹ChemAxon
Polarizability20.58 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 IDHMDB0032825
FooDB IDFDB010801
Phenol Explorer IDNot Available
KNApSAcK IDC00055803
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID21008
ChEBI IDNot Available
PubChem Compound ID22383
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.