Back to Search
Molecule
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 Mass
- 64.07 g/mol
Identifiers
CAS Registry Number
7446-09-5
SMILES
O=S=O
InChI Key
RAHZWNYVWXNFOC-UHFFFAOYSA-N
InChI
InChI=1S/O2S/c1-3-2
Names and Synonyms
- Sulfur Dioxide Common Name
- Sulfur dioxide Synonym
- Sulfur superoxide Synonym
- Sulfurous acid anhydride Synonym
- Sulfurous anhydride Synonym
- Sulfurous oxide Synonym
- Sulfur oxide (SO2) Synonym
- Fermenticide liquid Synonym
- Sulfur dioxide (SO2) Synonym
- Sulfur oxide Synonym
- Sulphur dioxide Synonym
- E 220 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 64.07 g/mol | CAS Common Chemistry |
| 64.065 g/mol | RDKit | |
| 64.058 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfur_dioxide | CAS Common Chemistry |
| Boiling Point | -10.05 °C | CAS Common Chemistry |
| Canonical SMILES | O=S=O | CAS Common Chemistry |
| Density | 2.811 x 10-3 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/O2S/c1-3-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -75.5 °C | CAS Common Chemistry |
| Name | Sulfur dioxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | -0.6701999999999999 | RDKit |
| -0.6702 | RDKit | |
| Molar Refractivity | 8.9198 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 63.961900240000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 64.07 g/mol. Edit any field — others recompute live.
