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Molecule
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
Identifiers
CAS Registry Number
13932-13-3
SMILES
O=S(=O)(O)SSS(=O)(=O)O.[K].[K]
InChI Key
WJNRDEVDTMOBON-UHFFFAOYSA-N
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)
Names and Synonyms
- Potassium Tetrathionate Common Name
- Tetrathionic acid, potassium salt (1:2) Synonym
- Tetrathionic acid, dipotassium salt Synonym
- Potassium tetrathionate Synonym
- Potassium tetrathionate (K2S4O6) Synonym
- Dipotassium tetrathionate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.474 g/mol | RDKit | |
| 306.462 g/mol | chempirical lib | |
| 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 |
| -0.7882 | RDKit | |
| Molar Refractivity | 49.7872 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 303.800835144 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 = 304.47 g/mol. Edit any field — others recompute live.
