Back to Search
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
Names and Synonyms:
Ammonium Sulfite
Sulfurous acid, ammonium salt (1:2)
Sulfurous acid, diammonium salt
Ammonium sulfite
Ammonium sulfite ((NH4)2SO3)
Diammonium sulfite
Diammonium sulfonate
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.14 g/mol | CAS Common Chemistry |
| 116.14199999999998 g/mol | RDKit | |
| 116.025563116 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 23.444200000000006 | RDKit |
