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Molecule
Sodium Pyrosulfate
CAS: 13870-29-6 · H2Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13870-29-6
- Molecular Formula
- H2Na2O7S2
- Molecular Mass
- 224.12 g/mol
Identifiers
CAS Registry Number
13870-29-6
SMILES
O=S(=O)(O)OS(=O)(=O)O.[Na].[Na]
InChI Key
MMNRHAASVTYVGH-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)
Names and Synonyms
- Sodium Pyrosulfate Synonym
- Disulfuric acid, sodium salt (1:2) Synonym
- Pyrosulfuric acid, disodium salt Synonym
- Sodium pyrosulfate Synonym
- Disulfuric acid, disodium salt Synonym
- Disodium pyrosulfate Synonym
- Sodium disulfate Synonym
- Sodium pyrosulfate (Na2S2O7) Synonym
- Disodium disulfate Synonym
- Sodium sulfate (Na2S2O7) Synonym
- Pyrosulfuric acid sodium salt (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.12 g/mol | CAS Common Chemistry |
| 224.123 g/mol | RDKit | |
| 226.125 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_pyrosulfate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)OS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=MMNRHAASVTYVGH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 396 °C | CAS Common Chemistry |
| Name | Sodium pyrosulfate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.97000000000001 Ų | RDKit |
| 117.97 Ų | RDKit | |
| LogP | -2.1529999999999996 | RDKit |
| -2.153 | RDKit | |
| Molar Refractivity | 35.6902 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.903732964 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
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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.
External Resources
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MW = 224.12 g/mol. Edit any field — others recompute live.
