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Potassium Metabisulfite
CAS: 16731-55-8 | H2K2O5S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16731-55-8
Molecular Formula:
H2K2O5S2
Molecular Mass:
224.34 g/mol
Names and Synonyms:
Potassium Metabisulfite
Disulfurous acid, potassium salt (1:2)
Pyrosulfurous acid, dipotassium salt
Potassium pyrosulfite
Disulfurous acid, dipotassium salt
Potassium metabisulfite
Potassium metabisulfite (K2S2O5)
Dipotassium metabisulfite
Potassium pyrosulfite (K2S2O5)
Dipotassium pyrosulfite
Dipotassium disulfite
Potassium disulfite (K2S2O5)
E 224
Kadifit
Identifiers:
SMILES:
O=S(O)S(=O)(=O)O.[K].[K]
InChI:
InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)
Key Properties
Melting Point
150 °C (decomp)
CAS Common Chemistry
Density
2.30 g/cm³
CAS Common Chemistry
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 | 224.34 g/mol | CAS Common Chemistry |
| 224.341 g/mol | RDKit | |
| 223.86177852400002 g/mol | RDKit | |
| 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 |
| Potassium metabisulfite | 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 |
| Molar Refractivity | 33.827799999999996 | RDKit |
