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Molecule
Bis(Sodium Sulfopropyl) Disulfide
CAS: 27206-35-5 · C6H14Na2O6S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27206-35-5
- Molecular Formula
- C6H14Na2O6S4
- Molecular Mass
- 356.42 g/mol
Identifiers
CAS Registry Number
27206-35-5
SMILES
O=S(=O)(O)CCCSSCCCS(=O)(=O)O.[Na].[Na]
InChI Key
NJZLKINMWXQCHI-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;
Names and Synonyms
- Bis(Sodium Sulfopropyl) Disulfide Common Name
- 1-Propanesulfonic acid, 3,3′-dithiobis-, sodium salt (1:2) Synonym
- 1-Propanesulfonic acid, 3,3′-dithiodi-, disodium salt Synonym
- 1-Propanesulfonic acid, 3,3′-dithiobis-, disodium salt Synonym
- 3,3′-Dithiobis[propanesulfonic acid] disodium salt Synonym
- Disodium 3,3′-dithiobis[propanesulfonate] Synonym
- Disodium 3,3′-dipropanedisulfonate disulfide Synonym
- Disodium 3,3′-dithiobis[1-propanesulfonate] Synonym
- Disodium bis(3-sulfopropyl)disulfide Synonym
- Bis(3-sulfopropyl)disulfide disodium salt Synonym
- Disodium bis(ω-sulfopropyl)disulfide Synonym
- SPS Synonym
- Bis(sodium sulfopropyl) disulfide Synonym
- Sodium polydithiodipropane sulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.42 g/mol | CAS Common Chemistry |
| 358.408 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)CCCSSCCCS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);; | CAS Common Chemistry |
| InChI Key | InChIKey=NJZLKINMWXQCHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(sodium sulfopropyl) disulfide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.74 Ų | RDKit |
| LogP | 0.1620000000000001 | RDKit |
| 0.162 | RDKit | |
| Molar Refractivity | 78.48920000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 355.946860728 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
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 = 356.42 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14Na2O6S4.
