2-methyl tetrahydrofuran-3-thioacetate

Food Additive Profile
Pubchem ID 57373560
CAS 252736-41-7
IUPAC name O-(2-methyloxolan-3-yl) ethanethioate
Synonyms -
Categories Flavor enhancer
SMILES CC1C(CCO1)OC(=S)C
InCheykey InChI=1S/C7H12O2S/c1-5-7(3-4-8-5)9-6(2)10/h5,7H,3-4H2,1-2H3
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
160.231 0 3 2 50.6

*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 Toxic Non-Mutagen Irritant Non-Irritant Irritant Degradable

References

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



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