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Molecule
Potassium Bisulfate
CAS: 7646-93-7 · H2KO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7646-93-7
- Molecular Formula
- H2KO4S
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
7646-93-7
SMILES
O=S(=O)(O)O.[K]
InChI Key
ILRLTAZWFOQHRT-UHFFFAOYSA-N
InChI
InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
Names and Synonyms
- Potassium Bisulfate Synonym
- Sulfuric acid, potassium salt (1:1) Synonym
- Sulfuric acid, monopotassium salt Synonym
- Potassium acid sulfate Synonym
- Potassium bisulfate Synonym
- Potassium hydrogen sulfate Synonym
- Sal enixum Synonym
- Monopotassium sulfate Synonym
- Acid potassium sulfate Synonym
- Potassium sulfate (KHSO4) Synonym
- Potassium bisulphate Synonym
- Hydrogen potassium sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.17699999999996 g/mol | RDKit | |
| 137.177 g/mol | RDKit | |
| 138.178 g/mol | chempirical lib | |
| Density | 2.24 g/cm³ | CAS Common Chemistry |
| 2.24 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_bisulfate | CAS Common Chemistry |
| Canonical SMILES | [K].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ILRLTAZWFOQHRT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 197 °C | CAS Common Chemistry |
| Name | Potassium bisulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -1.0335999999999999 | RDKit |
| -1.0336 | RDKit | |
| Molar Refractivity | 19.9314 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 136.931086224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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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Quick conversion
MW = 137.18 g/mol; density = 2.240 g/mL. Edit any field — others recompute live.
