| Pubchem ID | 7058 |
|---|---|
| CAS | 91-60-1 |
| IUPAC name | naphthalene-2-thiol |
| Synonyms | Naphthalene-2-thiol|2-Mercaptonaphthalene|2-Thionaphthol|Thionaphthol|2-Naphthyl mercaptan|Vulcamel TBN|2-Naphthyl thiol |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C2C=C(C=CC2=C1)S |
| InCheykey | InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H |
| 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 |
|---|---|---|---|---|
| 160.234 | 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 |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |