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Molecule
Ammonium Sulfite
CAS: 10196-04-0 · H8N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10196-04-0
- Molecular Formula
- H8N2O3S
- Molecular Mass
- 116.14 g/mol
Identifiers
CAS Registry Number
10196-04-0
SMILES
N.N.O=S(O)O
InChI Key
PQUCIEFHOVEZAU-UHFFFAOYSA-N
InChI
InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
Names and Synonyms
- Ammonium Sulfite Common Name
- Sulfurous acid, ammonium salt (1:2) Synonym
- Sulfurous acid, diammonium salt Synonym
- Ammonium sulfite Synonym
- Ammonium sulfite ((NH4)2SO3) Synonym
- Diammonium sulfite Synonym
- Diammonium sulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.14 g/mol | CAS Common Chemistry |
| 116.14199999999998 g/mol | RDKit | |
| 116.142 g/mol | RDKit | |
| 116.135 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_sulfite | CAS Common Chemistry |
| Canonical SMILES | O=S(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=PQUCIEFHOVEZAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium sulfite | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.53 Ų | RDKit |
| LogP | 0.005099999999999549 | RDKit |
| 0.0051 | RDKit | |
| Molar Refractivity | 23.444200000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 116.025563116 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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MW = 116.14 g/mol. Edit any field — others recompute live.
