Food Additive Profile
Pubchem ID 34286
CAS 28588-74-1
IUPAC name 2-methylfuran-3-thiol
Synonyms -
Categories Flavor enhancer
SMILES CC1=C(C=CO1)S
InCheykey InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
Natural YES
E No. -
GHS Siginal -
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
114.162 1 2 0 14.1

*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 High Non - Inhibitor Toxic

*Prediction Method

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

References




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