| Pubchem ID | 522674 |
|---|---|
| CAS | 7774-74-5 |
| IUPAC name | thiophene-2-thiol |
| Synonyms | Thiophene-2-thiol|2-Thiophenethiol|2-Mercaptothiophene|thiophenethiol|2-Thienyl mercaptan|2-Thienylthiol|Thienylmercaptan|2-thiophene thiol |
| Categories | Flavor enhancer |
| SMILES | C1=CSC(=C1)S |
| InCheykey | InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 116.196 | 1 | 2 | 0 | 29.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |