| Pubchem ID | 6343 |
|---|---|
| CAS | 75-08-1 |
| IUPAC name | ethanethiol |
| Synonyms | Mercaptoethane|Thioethanol|Ethyl thioalcohol|Ethyl sulfhydrate|Ethyl hydrosulfide|Etilmercaptano|Aethylmercaptan|Aethanethiol|Etantiolo|Thioethyl alcohol|1-Mercaptoethane|Ethylmerkaptan |
| Categories | Flavor enhancer |
| SMILES | CCS |
| InCheykey | InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 62.13 | 1 | 1 | 0 | 1.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Optimal Solubility | Weaker / Non binder | Undefined | Non - Inhibitor | 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 |