| Pubchem ID | 6514 |
|---|---|
| CAS | 107-96-0 |
| IUPAC name | 3-sulfanylpropanoic acid |
| Synonyms | 3-Sulfanylpropanoic acid|beta-Mercaptopropionic acid|3-Thiopropionic acid|Mercaptopropionic acid|3-Thiopropanoic acid|Propanoic acid, 3-mercapto-|3MPA|beta-Thiopropionic acid|2-Mercaptoethanecarboxylic acid |
| Categories | Flavor enhancer |
| SMILES | C(CS)C(=O)O |
| InCheykey | InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 106.139 | 2 | 3 | 2 | 38.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |