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Tinopal Cbs
CAS: 27344-41-8 | C28H22Na2O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27344-41-8
Molecular Formula:
C28H22Na2O6S2
Molecular Mass:
564.59 g/mol
Names and Synonyms:
Tinopal Cbs
Benzenesulfonic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)
Benzenesulfonic acid, 2,2′-(4,4′-biphenylylenedivinylene)di-, disodium salt
Benzenesulfonic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-2,1-ethenediyl)bis-, disodium salt
Disodium 4,4′-bis(2-sulfostyryl)biphenyl
4,4′-Bis(2-sodiosulfostyryl)biphenyl
Disodium 4′,4′′-bi[stilbene-2,2′′′-disulfonate]
4,4′-Bis(2-sulfostyryl)biphenyl disodium salt
Tinopal CBS
Tinopal CBS-X
4,4′-Bis(o-sulfostyryl)biphenyl disodium salt
Stilbene 3
Stilbene 420
Uvitex NFW
DSBP
Tinopal SK
Tinopal CBX
CBS-X
Calcofluor CG
Brightener BR 49
CF 351
Tinopal CBS-X 44
Optical Brightener CBS-X
Brightener CBS-X
Tinopal NFW
Stilbene S-420
Tinopal NFW Liq
OB-M 1
Disodium 2,2′-([1,1′-biphenyl]-4,4′-diyldivinylene)bis(benzenesulfonate)
Benetex OB-M 1
Uvitex CBS-X
Disodium 2,2′-(4,4′-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate
Keyfluor CBS-X
Keyfluor White CBS-X
FWA-CBS-X
Identifiers:
SMILES:
O=S(=O)(O)c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3S(=O)(=O)O)cc2)cc1.[Na].[Na]
InChI:
InChI=1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 564.59 g/mol | CAS Common Chemistry |
| 564.5920000000002 g/mol | RDKit | |
| 564.065318984 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)C=1C=CC=CC1C=CC=2C=CC(=CC2)C3=CC=C(C=C3)C=CC=4C=CC=CC4S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);; | CAS Common Chemistry |
| InChI Key | InChIKey=DAPMZWDGZVFZMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tinopal CBS | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 108.74 Ų | RDKit |
| LogP | 5.426200000000007 | RDKit |
| Molar Refractivity | 153.75519999999975 | RDKit |
