| Pubchem ID | 5143 |
|---|---|
| CAS | 81-07-2 |
| IUPAC name | 1,1-dioxo-1,2-benzothiazol-3-one |
| Synonyms | o-Benzoic sulfimide|o-Sulfobenzimide|Saccharimide|Benzosulfimide|Benzoic sulfimide|o-Benzosulfimide|Benzosulphimide|Saccharinose|Garantose |
| Categories | Sweetener |
| SMILES | C1=CC=C2C(=C1)C(=O)NS2(=O)=O |
| InCheykey | InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) |
| Natural | nan |
| E No. | E954 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 183.181 | 1 | 3 | 0 | 71.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |