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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
E 220
Sulphur dioxide
Sulfur oxide
Sulfur dioxide (SO2)
Fermenticide liquid
Sulfur oxide (SO2)
Sulfurous oxide
Sulfurous anhydride
Sulfurous acid anhydride
Sulfur superoxide
Sulfur dioxide
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 64.07 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfur_dioxide | Legacy Database | |
| cas-boiling-point | -10.05 °C | Legacy Database | |
| cas-canonical-smile | O=S=O | Legacy Database | |
| cas-density | 2.811 x 10-3 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/O2S/c1-3-2 | Legacy Database | |
| cas-inchi-key | InChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -75.5 °C | Legacy Database | |
| cas-name | Sulfur dioxide | Legacy Database | |
| wikipedia-name | Sulfur dioxide | Legacy Database | |
| LogP | -0.6701999999999999 | RDKit | |
| Molecular | Molecular Weight | 64.065 g/mol | RDKit |
| Exact | Exact Molecular Weight | 63.961900240000006 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 34.14 Ų | RDKit |
| Molar | Molar Refractivity | 8.9198 | RDKit |
