| Pubchem ID | 47206909 |
|---|---|
| CAS | 8015-86-9 |
| IUPAC name | 2-(ethylsulfonylmethyl)-3-methylquinoxaline |
| Synonyms | - |
| Categories | Anticaking agent |
| SMILES | CCS(=O)(=O)CC1=NC2=CC=CC=C2N=C1C |
| InCheykey | InChI=1S/C12H14N2O2S/c1-3-17(15,16)8-12-9(2)13-10-6-4-5-7-11(10)14-12/h4-7H,3,8H2,1-2H3 |
| Natural | nan |
| E No. | E903 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 250.316 | 0 | 4 | 3 | 68.3 |
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 | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |