3-(methylthio)methylthiophene

Food Additive Profile
Pubchem ID 20158044
CAS 61675-72-7
IUPAC name 3-(methylsulfanylmethyl)thiophene
Synonyms -
Categories Flavor enhancer
SMILES CSCC1=CSC=C1
InCheykey InChI=1S/C6H8S2/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3
Natural nan
E No. -
GHS Siginal -
ADI Value -
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SDF JSON

                    

Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
144.25 0 2 2 53.5

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Moderate 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
Non-Carcinogen Non-Toxic Non-Mutagen Irritant Irritant Irritant Non-Degradable

References

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



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