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Molecule
Tinopal Cbs
CAS: 27344-41-8 · C28H22Na2O6S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27344-41-8
- Molecular Formula
- C28H22Na2O6S2
- Molecular Mass
- 564.59 g/mol
Identifiers
CAS Registry Number
27344-41-8
SMILES
O=S(=O)(O)c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3S(=O)(=O)O)cc2)cc1.[Na].[Na]
InChI Key
DAPMZWDGZVFZMK-UHFFFAOYSA-N
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);;
Names and Synonyms
- Tinopal Cbs Common Name
- Benzenesulfonic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2) Synonym
- Benzenesulfonic acid, 2,2′-(4,4′-biphenylylenedivinylene)di-, disodium salt Synonym
- Benzenesulfonic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-2,1-ethenediyl)bis-, disodium salt Synonym
- Disodium 4,4′-bis(2-sulfostyryl)biphenyl Synonym
- 4,4′-Bis(2-sodiosulfostyryl)biphenyl Synonym
- Disodium 4′,4′′-bi[stilbene-2,2′′′-disulfonate] Synonym
- 4,4′-Bis(2-sulfostyryl)biphenyl disodium salt Synonym
- Tinopal CBS Synonym
- Tinopal CBS-X Synonym
- 4,4′-Bis(o-sulfostyryl)biphenyl disodium salt Synonym
- Stilbene 3 Synonym
- Stilbene 420 Synonym
- Uvitex NFW Synonym
- DSBP Synonym
- Tinopal SK Synonym
- Tinopal CBX Synonym
- CBS-X Synonym
- Calcofluor CG Synonym
- Brightener BR 49 Synonym
- CF 351 Synonym
- Tinopal CBS-X 44 Synonym
- Optical Brightener CBS-X Synonym
- Brightener CBS-X Synonym
- Tinopal NFW Synonym
- Stilbene S-420 Synonym
- Tinopal NFW Liq Synonym
- OB-M 1 Synonym
- Disodium 2,2′-([1,1′-biphenyl]-4,4′-diyldivinylene)bis(benzenesulfonate) Synonym
- Benetex OB-M 1 Synonym
- Uvitex CBS-X Synonym
- Disodium 2,2′-(4,4′-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate Synonym
- Keyfluor CBS-X Synonym
- Keyfluor White CBS-X Synonym
- FWA-CBS-X Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 564.59 g/mol | CAS Common Chemistry |
| 564.5920000000002 g/mol | RDKit | |
| 564.592 g/mol | RDKit | |
| 566.594 g/mol | chempirical lib | |
| 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 |
| 5.4262 | RDKit | |
| 4.9 | chempirical lib | |
| Molar Refractivity | 153.75519999999975 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 564.065318984 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 564.59 g/mol. Edit any field — others recompute live.
