Back to Search
Molecule
Sodium 4-Styrenesulfonate
CAS: 2695-37-6 · C8H8NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2695-37-6
- Molecular Formula
- C8H8NaO3S
- Molecular Mass
- 207.21 g/mol
Identifiers
CAS Registry Number
2695-37-6
SMILES
C=Cc1ccc(S(=O)(=O)O)cc1.[Na]
InChI Key
OMSKWMHSUQZBRS-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);
Names and Synonyms
- Sodium 4-Styrenesulfonate Common Name
- Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1) Synonym
- Benzenesulfonic acid, p-vinyl-, sodium salt Synonym
- Benzenesulfonic acid, 4-ethenyl-, sodium salt Synonym
- Sodium p-styrenesulfonate Synonym
- Sodium 4-vinylbenzenesulfonate Synonym
- Sodium 4-styrenesulfonate Synonym
- Spinomar NaSS Synonym
- Styrene-4-sulfonic acid sodium salt Synonym
- Sodium p-vinylbenzenesulfonate Synonym
- UNASS Synonym
- p-Vinylphenylsulfonic acid sodium salt Synonym
- MS 88 Synonym
- p-Vinylbenzene sulfonic sodium salt Synonym
- p-Styrenesulfonic acid sodium salt Synonym
- Sodium (4-vinylphenyl)sulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.21 g/mol | CAS Common Chemistry |
| 207.20600000000002 g/mol | RDKit | |
| 207.206 g/mol | RDKit | |
| 208.207 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=OMSKWMHSUQZBRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | Sodium 4-styrenesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 1.1955 | RDKit |
| Molar Refractivity | 52.10160000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 207.009184396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 207.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8NaO3S.
