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Sulfur Dioxide
CAS: 7446-09-5 | O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7446-09-5
Molecular Formula:
O2S
Molecular Weight:
64.065 g/mol
Names and Synonyms:
Sulfur Dioxide
Common Name
E 220
Synonym
Sulphur dioxide
Synonym
Sulfur oxide
Synonym
Sulfur dioxide (SO2)
Synonym
Fermenticide liquid
Synonym
Sulfur oxide (SO2)
Synonym
Sulfurous oxide
Synonym
Sulfurous anhydride
Synonym
Sulfurous acid anhydride
Synonym
Sulfur superoxide
Synonym
Sulfur dioxide
Synonym
Identifiers:
SMILES:
O=S=O
InChI:
InChI=1S/O2S/c1-3-2
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 | 64.065 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 63.961900240000006 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6701999999999999 | RDKit |
| wikipedia-name | Sulfur dioxide None | Legacy Database |
| molecular_mass | 64.07 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfur_dioxide None | Legacy Database |
| cas-boiling-point | -10.05 °C None | Legacy Database |
| cas-canonical-smile | O=S=O None | Legacy Database |
| cas-density | 2.811 x 10-3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O2S/c1-3-2 None | Legacy Database |
| cas-inchi-key | InChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -75.5 °C None | Legacy Database |
| cas-name | Sulfur dioxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 8.9198 | RDKit |