| Pubchem ID | 10484 |
|---|---|
| CAS | 507-09-5 |
| IUPAC name | ethanethioic S-acid |
| Synonyms | Ethanethioic acid|Thiacetic acid|Ethanethioic S-acid|Thiolacetic acid|Thioacetic S-acid|Acetyl mercaptan|Ethanethiolic acid|Thionoacetic acid|Methanecarbothiolic acid |
| Categories | Flavor enhancer |
| SMILES | CC(=O)S |
| InCheykey | InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) |
| 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 |
|---|---|---|---|---|
| 76.113 | 1 | 2 | 0 | 18.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |