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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 Weight:
116.14199999999998 g/mol
Names and Synonyms:
Ammonium Sulfite
Ammonium sulfite
Sulfurous acid, diammonium salt
Diammonium sulfonate
Diammonium sulfite
Sulfurous acid, ammonium salt (1:2)
Ammonium sulfite ((NH4)2SO3)
Identifiers:
SMILES:
N.N.O=S(O)O
InChI:
InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.14199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.025563116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 127.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.005099999999999549 | RDKit |
| molecular_mass | 116.14 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_sulfite None | Legacy Database |
| cas-canonical-smile | O=S(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=PQUCIEFHOVEZAU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ammonium sulfite None | Legacy Database |
| wikipedia-name | Ammonium sulfite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.444200000000006 | RDKit |
