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Potassium Tetrathionate
CAS: 13932-13-3 | H2K2O6S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13932-13-3
Molecular Formula:
H2K2O6S4
Molecular Mass:
304.47 g/mol
Names and Synonyms:
Potassium Tetrathionate
Tetrathionic acid, potassium salt (1:2)
Tetrathionic acid, dipotassium salt
Potassium tetrathionate
Potassium tetrathionate (K2S4O6)
Dipotassium tetrathionate
Identifiers:
SMILES:
O=S(=O)(O)SSS(=O)(=O)O.[K].[K]
InChI:
InChI=1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)
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 | 304.47 g/mol | CAS Common Chemistry |
| 304.474 g/mol | RDKit | |
| 303.800835144 g/mol | RDKit | |
| Canonical SMILES | [K].O=S(=O)(O)SSS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=WJNRDEVDTMOBON-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium tetrathionate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.74 Ų | RDKit |
| LogP | -0.7881999999999998 | RDKit |
| Molar Refractivity | 49.7872 | RDKit |
