AromaDb: A Database of Plant's Aroma Molecules

2-Acetylthiazole Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
24295-03-2
:Description

:Fragrance Type
popcorn-like aroma??

Physical and Chemical properties

PUBCHEM ID520108
Molecular Weight (mg/mol)127.168
Molecular FormulaC5H5NOS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
IUPAC Name
Canonical SMILESCC(=O)c1nccs1
PUBCHEM IUPAC INCHIKEYMOMFXATYAINJML-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.988

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA52.6
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.34
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.278621
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 24295-03-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 24295-03-2 2-Acetylthiazole

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures