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Molecule
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 Mass
- 82.08 g/mol
Identifiers
CAS Registry Number
7782-99-2
SMILES
O=S(O)O
InChI Key
LSNNMFCWUKXFEE-UHFFFAOYSA-N
InChI
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
Names and Synonyms
- Sulfurous Acid Common Name
- Sulfurous acid Synonym
- Sulfur dioxide solution Synonym
- Sulfurous acid (H2SO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.08 g/mol | CAS Common Chemistry |
| 82.07999999999998 g/mol | RDKit | |
| 82.073 g/mol | chempirical lib | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfurous_acid | CAS Common Chemistry |
| Canonical SMILES | O=S(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=LSNNMFCWUKXFEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfurous acid | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.3189 | RDKit |
| Molar Refractivity | 13.4 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 81.97246492400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 82.08 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
