1-(3-hydroxy-5-methyl-2-thienyl)ethanone

Food Additive Profile
Pubchem ID 14837639
CAS 133860-42-1
IUPAC name 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
Synonyms -
Categories Flavor enhancer
SMILES CC1=CC(=C(S1)C(=O)C)O
InCheykey InChI=1S/C7H8O2S/c1-4-3-6(9)7(10-4)5(2)8/h3,9H,1-2H3
Natural nan
E No. -
GHS Siginal -
ADI Value -
Download 3D Conformer :
SDF JSON

                    

Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
156.199 1 3 1 65.5

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Good Absorption Optimal Solubility Weaker / Non binder Medium Non - Inhibitor Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Carcinogen Non-Toxic Mutagen Irritant Irritant Irritant Non-Degradable

References

External Links
Resources
  1. PubChem
  2. FDA U.S.Food & Drug Administration



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