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Molecule
Ammonium Persulfate
CAS: 7727-54-0 · H8N2O8S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7727-54-0
- Molecular Formula
- H8N2O8S2
- Molecular Mass
- 228.20 g/mol
Identifiers
CAS Registry Number
7727-54-0
SMILES
N.N.O=S(=O)(O)OOS(=O)(=O)O
InChI Key
ROOXNKNUYICQNP-UHFFFAOYSA-N
InChI
InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)
Names and Synonyms
- Ammonium Persulfate Synonym
- Peroxydisulfuric acid ([(HO)S(O)2]2O2), ammonium salt (1:2) Synonym
- Peroxydisulfuric acid ([(HO)S(O)2]2O2), diammonium salt Synonym
- Ammonium peroxydisulfate Synonym
- Ammonium peroxydisulfate ((NH4)2S2O8) Synonym
- Diammonium peroxydisulfate Synonym
- Diammonium persulfate Synonym
- Ammonium persulfate Synonym
- Ammonium peroxysulfate Synonym
- Diammonium peroxydisulphate Synonym
- Ammonium peroxidodisulfate Synonym
- Bis(ammonium) peroxodisulfate Synonym
- Panreac PA Synonym
- Enplate AD 485 Synonym
- Anala R Synonym
- Ad 485 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.20 g/mol | CAS Common Chemistry |
| 228.20399999999998 g/mol | RDKit | |
| 228.204 g/mol | RDKit | |
| 228.19 g/mol | chempirical lib | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_persulfate | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)OOS(=O)(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=ROOXNKNUYICQNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium persulfate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 197.19999999999996 Ų | RDKit |
| 197.2 Ų | RDKit | |
| 215.2 Ų | chempirical lib | |
| LogP | -1.1358000000000001 | RDKit |
| -1.1358 | RDKit | |
| -1.09 | chempirical lib | |
| Molar Refractivity | 35.311400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 227.97220721600002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 228.20 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
