| Pubchem ID | 62326 |
|---|---|
| CAS | 79-42-5 |
| IUPAC name | 2-sulfanylpropanoic acid |
| Synonyms | Thiolactic acid|2-Sulfanylpropanoic acid|2-Mercaptopropanoic acid|2-Thiolactic acid|2-Thiolpropionic acid|alpha-Mercaptopropionic acid |
| Categories | Flavor enhancer |
| SMILES | CC(C(=O)O)S |
| InCheykey | InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(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 | 1 | 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 | Optimal Solubility | 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 | Irritant | Irritant | Degradable |