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Sulfur Trioxide
CAS: 7446-11-9 | O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7446-11-9
Molecular Formula:
O3S
Molecular Weight:
80.064 g/mol
Names and Synonyms:
Sulfur Trioxide
Common Name
Nisso Sulfan
Synonym
Sulfuric anhydride
Synonym
Sulfur oxide (SO3)
Synonym
Sulfur trioxide
Synonym
Identifiers:
SMILES:
O=S(=O)=O
InChI:
InChI=1S/O3S/c1-4(2)3
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
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40
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 | 80.064 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 79.95681486000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 51.21 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0040999999999998 | RDKit |
| molecular_mass | 80.06 g/mol | Legacy Database |
| density | 1.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfur_trioxide None | Legacy Database |
| cas-boiling-point | 45 °C None | Legacy Database |
| cas-canonical-smile | O=S(=O)=O None | Legacy Database |
| cas-density | 1.9 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O3S/c1-4(2)3 None | Legacy Database |
| cas-inchi-key | InChIKey=AKEJUJNQAAGONA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 16.8 °C None | Legacy Database |
| cas-name | Sulfur trioxide None | Legacy Database |
| wikipedia-name | Sulfur trioxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.6972 | RDKit |