Food Additive Profile
Pubchem ID 679
CAS 67-68-5
IUPAC name methylsulfinylmethane
Synonyms -
Categories Flavor enhancer
SMILES CS(=O)C
InCheykey InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
Natural YES
E No. -
GHS Siginal Warning
ADI Value -

Download 3D Conformer :

                    

Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
78.129 0 2 0 36.3

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Low Absorption Too Soluble Weaker / Non binder Undefined 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 Degradable

References




Copyright © CSIR-Indian Institute of Toxicology Research| All rights reserved.
Designed & Developed by : Computational Toxicology Facility, CSIR-IITR