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Molecule
Potassium Metabisulfite
CAS: 16731-55-8 · H2K2O5S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16731-55-8
- Molecular Formula
- H2K2O5S2
- Molecular Mass
- 224.34 g/mol
Identifiers
CAS Registry Number
16731-55-8
SMILES
O=S(O)S(=O)(=O)O.[K].[K]
InChI Key
TWDUAWOEUFKDNM-UHFFFAOYSA-N
InChI
InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)
Names and Synonyms
- Potassium Metabisulfite Common Name
- Disulfurous acid, dipotassium salt Synonym
- Disulfurous acid, potassium salt (1:2) Synonym
- Pyrosulfurous acid, dipotassium salt Synonym
- Potassium pyrosulfite Synonym
- Potassium metabisulfite Synonym
- Potassium metabisulfite (K2S2O5) Synonym
- Dipotassium metabisulfite Synonym
- Potassium pyrosulfite (K2S2O5) Synonym
- Dipotassium pyrosulfite Synonym
- Dipotassium disulfite Synonym
- Potassium disulfite (K2S2O5) Synonym
- E 224 Synonym
- Kadifit Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.34 g/mol | CAS Common Chemistry |
| 224.341 g/mol | RDKit | |
| 226.343 g/mol | chempirical lib | |
| Density | 2.30 g/cm³ | CAS Common Chemistry |
| 2.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_metabisulfite | CAS Common Chemistry |
| Canonical SMILES | [K].O=S(O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=TWDUAWOEUFKDNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150 °C (decomp) | CAS Common Chemistry |
| Name | Potassium pyrosulfite | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 91.67 Ų | RDKit |
| LogP | -1.7506999999999997 | RDKit |
| -1.7507 | RDKit | |
| Molar Refractivity | 33.827799999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.86177852400002 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
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MW = 224.34 g/mol; density = 2.300 g/mL. Edit any field — others recompute live.
