Food Additive Profile
Pubchem ID 41569
CAS 55764-23-3
IUPAC name 2,5-dimethylfuran-3-thiol
Synonyms -
Categories Flavor enhancer
SMILES CC1=CC(=C(O1)C)S
InCheykey InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
Natural YES
E No. -
GHS Siginal Warning
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
128.189 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 Non-Toxic Non-Mutagen Irritant Irritant Irritant Non-Degradable

References




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