Pubchem ID | 62444 |
---|---|
CAS | 2432-51-1 |
IUPAC name | S-methyl butanethioate |
Synonyms | S-Methyl thiobutyrate|S-Methyl butanethioate|FEMA No. 3310 |
Categories | Flavor enhancer |
SMILES | CCCC(=O)SC |
InCheykey | InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
118.194 | 0 | 2 | 3 | 42.4 |
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 | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |