Pubchem ID | 23642 |
---|---|
CAS | 7217-59-6 |
IUPAC name | 2-methoxybenzenethiol |
Synonyms | 2-Methoxybenzenethiol|2-Methoxythiophenol|Thioguaiacol|Benzenethiol, 2-methoxy-|2-Mercaptoanisole|o-Methoxythiophenol|o-Methoxybenzenethiol |
Categories | Flavor enhancer |
SMILES | COC1=CC=CC=C1S |
InCheykey | InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
140.2 | 1 | 2 | 1 | 10.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |