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Sulfurous Acid
CAS: 7782-99-2 | H2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-99-2
Molecular Formula:
H2O3S
Molecular Weight:
82.07999999999998 g/mol
Names and Synonyms:
Sulfurous Acid
Common Name
Sulfurous acid (H2SO3)
Synonym
Sulfur dioxide solution
Synonym
Sulfurous acid
Synonym
Identifiers:
SMILES:
O=S(O)O
InChI:
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 82.07999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 81.97246492400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3189 | RDKit |
| cas-canonical-smile | O=S(O)O None | Legacy Database |
| cas-density | 1.020 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=LSNNMFCWUKXFEE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sulfurous acid None | Legacy Database |
| wikipedia-name | Sulfurous acid None | Legacy Database |
| molecular_mass | 82.08 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfurous_acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.4 | RDKit |