| Pubchem ID | 517327 |
|---|---|
| CAS | 8046-53-5 |
| IUPAC name | sodium;benzenesulfonate |
| Synonyms | Benzenesulfonic acid sodium salt|Benzenesulfonic acid, sodium salt|Dispersant GN|Sodium benzenesulphonate|Sodium phenylsulfonate|Sodium benzene sulfonate |
| Categories | Preservative |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| InCheykey | InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 |
| 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 |
|---|---|---|---|---|
| 180.153 | 0 | 3 | 1 | 65.6 |
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 | Weaker / Non 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 | Irritant | Irritant | Irritant | Non-Degradable |