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Molecule
Ammonium Bisulfate
CAS: 7803-63-6 · H5NO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7803-63-6
- Molecular Formula
- H5NO4S
- Molecular Mass
- 115.11 g/mol
Identifiers
CAS Registry Number
7803-63-6
SMILES
N.O=S(=O)(O)O
InChI Key
BIGPRXCJEDHCLP-UHFFFAOYSA-N
InChI
InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)
Names and Synonyms
- Ammonium Bisulfate Common Name
- Sulfuric acid, ammonium salt (1:1) Synonym
- Sulfuric acid, monoammonium salt Synonym
- Ammonium sulfate ((NH4)HSO4) Synonym
- Acid ammonium sulfate Synonym
- Ammonium acid sulfate Synonym
- Ammonium bisulfate Synonym
- Ammonium hydrogen sulfate Synonym
- Monoammonium sulfate Synonym
- Monoammonium hydrogen sulfate Synonym
- Ammonium hydrogen sulfate (NH4HSO4) Synonym
- Ammonium monohydrogen sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.11 g/mol | CAS Common Chemistry |
| 115.10999999999999 g/mol | RDKit | |
| 115.103 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_bisulfate | CAS Common Chemistry |
| Boiling Point | 358.8 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=BIGPRXCJEDHCLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211 °C (decomp) @ Solvent: Water | CAS Common Chemistry |
| Name | Ammonium bisulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
| 109.6 Ų | RDKit | |
| 118.6 Ų | chempirical lib | |
| LogP | -0.49079999999999974 | RDKit |
| -0.4908 | RDKit | |
| Molar Refractivity | 19.1995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 114.99392864000001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| 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 = 115.11 g/mol. Edit any field — others recompute live.
