HuagongsheHuagongshe Chemistry Print Report · For research reference only
Sodium Benzoylthioethanesulfonate-d4
Sodium benzoylthioethanesulfonate-d4
Identifiers & Physical Properties
| CAS No. | 1189657-00-8 |
|---|---|
| Molecular formula | C9H9NaO4S2 |
| Average molar mass | 272.3 g/mol |
| Monoisotopic mass | 272.00910238 g/mol |
| SMILES | [2H]C([2H])(SC(=O)c1ccccc1)C([2H])([2H])S(=O)(=O)[O-].[Na+] |
| InChIKey | MQRJYFYHAKNZHS-FEUVXQGESA-M |
| PubChem CID | 45040407 |
| DTXSID | DTXSID90662191 |
Chemical & Physical Properties
| Topological polar surface area | 108 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 304 |
| Solubility | Water |
| Physical state | Solid |
| Color | White |
Applications & Uses
Uses
Sodium Benzoylthioethanesulfonate-d4 (cas# 1189657-00-8) is a compound useful in organic synthesis.