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Molecule
Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4)
CAS: 37222-66-5 · H2KO13S3-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 37222-66-5
- Molecular Formula
- H2KO13S3-4
- Molecular Mass
- 345.30 g/mol
Identifiers
CAS Registry Number
37222-66-5
SMILES
O=S(=O)(O)O.O=S(=O)([O-])O[O-].O=S(=O)([O-])[O-].[K]
InChI Key
QNGMGUKVALHVLE-UHFFFAOYSA-J
InChI
InChI=1S/K.H2O5S.2H2O4S/c;1-5-6(2,3)4;2*1-5(2,3)4/h;1H,(H,2,3,4);2*(H2,1,2,3,4)/p-4
Names and Synonyms
- Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Common Name
- Potassium peroxymonosulfate sulfate (K5[HSO3(O2)]2(HSO4)(SO4)) Synonym
- Oxone Synonym
- L-Gel Synonym
- Caroate Synonym
- Caroat Synonym
- Potassium persulfate triple salt Synonym
- Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Synonym
- Caro's salt Synonym
- Caro's triple salt Synonym
- Caro salt Synonym
- Curox Synonym
- Urutora San Synonym
- PS 16 Synonym
- PS 16 (salt) Synonym
- Basolan 2448 Synonym
- Potassium hydrogen monopersulfate Synonym
- Potassium caroate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.30 g/mol | CAS Common Chemistry |
| 345.302 g/mol | RDKit | |
| 346.289 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=S(=O)([O-])[O-].O=S(=O)([O-])O.O=S(=O)([O-])OO | CAS Common Chemistry |
| InChI | InChI=1S/K.H2O5S.2H2O4S/c;1-5-6(2,3)4;2*1-5(2,3)4/h;1H,(H,2,3,4);2*(H2,1,2,3,4)/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=QNGMGUKVALHVLE-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 244.35 Ų | RDKit |
| LogP | -4.6331 | RDKit |
| Molar Refractivity | 41.1882 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -4 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 344.83165412364 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 345.30 g/mol. Edit any field — others recompute live.
