AromaDb: A Database of Plant's Aroma Molecules

Dimethyl disulfide Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
624-92-0
:Description

:Fragrance Type
onion-like aroma

Physical and Chemical properties

PUBCHEM ID12232
Molecular Weight (mg/mol)94.202
Molecular FormulaC2H6S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
IUPAC Name
Canonical SMILESCSSC
PUBCHEM IUPAC INCHIKEYWQOXQRCZOLPYPM-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure1.353

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP981.385
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.437458
Ocular IrritancyModerate
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 624-92-0 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 624-92-0 Dimethyl disulfide

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Welsh onion Allium fistulosum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)