Food Additive Profile
Pubchem ID 62351
CAS 505-79-3
IUPAC name 1-isothiocyanato-3-methylsulfanylpropane
Synonyms -
Categories Flavor enhancer
SMILES CSCCCN=C=S
InCheykey InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
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
147.254 0 3 4 69.8

*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
Non-Carcinogen Toxic Non-Mutagen Irritant Non-Irritant Irritant Non-Degradable

References




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