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Ammonium Bisulfite
CAS: 10192-30-0 | H5NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10192-30-0
Molecular Formula:
H5NO3S
Molecular Weight:
99.11099999999999 g/mol
Names and Synonyms:
Ammonium Bisulfite
Sulfurous acid, ammonium salt (1:1)
Sulfurous acid, monoammonium salt
Ammonium acid sulfite
Ammonium bisulfite
Ammonium monosulfite
Ammonium bisulfite (NH4HSO3)
Ammonium hydrogen sulfite
Ammonium sulfite (NH4HSO3)
Monoammonium sulfite
TC 1000
Solfoliquid 25
Identifiers:
SMILES:
N.O=S(O)O
InChI:
InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 99.11 g/mol | Legacy Database |
| density | 2.03 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(O)O.N None | Legacy Database |
| cas-density | 2.03 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=ZETCGWYACBNPIH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ammonium bisulfite None | Legacy Database |
| LogP | -0.15689999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.11099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 98.99901402 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 92.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.4221 | RDKit |
