Pubchem ID | 8712 |
---|---|
CAS | 137-06-4 |
IUPAC name | 2-methylbenzenethiol |
Synonyms | 2-Methylbenzenethiol|2-Methylthiophenol|2-Toluenethiol|o-Tolyl mercaptan|o-Mercaptotoluene|Benzenethiol, 2-methyl-|o-Methylthiophenol|o-Methylbenzenethiol|Toluene-2-thiol|2-Methylphenylthiol|2-Methylbenzene-1-thiol |
Categories | Flavor enhancer |
SMILES | CC1=CC=CC=C1S |
InCheykey | InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
124.201 | 1 | 1 | 0 | 1.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |