Food Additive Profile
Pubchem ID 87436
CAS 18060-79-2
IUPAC name 5-isothiocyanatopent-1-ene
Synonyms -
Categories Flavor enhancer
SMILES C=CCCCN=C=S
InCheykey InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
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
127.205 0 2 4 44.4

*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 Slightly Soluble 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 Toxic Non-Mutagen Irritant Irritant Irritant Non-Degradable

References




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