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Sulfuryl Chloride
CAS: 7791-25-5 | Cl2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-25-5
Molecular Formula:
Cl2O2S
Molecular Weight:
134.971 g/mol
Names and Synonyms:
Sulfuryl Chloride
Sulfur oxychloride (SO2Cl2)
Sulfur chloride oxide (SCl2O2)
Sulfonyl dichloride
Sulfuryl dichloride
Sulphuryl chloride
Sulfuryl chloride (SO2Cl2)
Sulfur chloride oxide (SO2Cl2)
Sulfonyl chloride
Sulfuric dichloride
Sulfuric oxychloride
Sulfuryl chloride
Identifiers:
SMILES:
O=S(=O)(Cl)Cl
InChI:
InChI=1S/Cl2O2S/c1-5(2,3)4
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 134.97 g/mol | Legacy Database |
| density | 1.67 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfuryl_chloride None | Legacy Database |
| cas-boiling-point | 69.3 °C None | Legacy Database |
| cas-canonical-smile | O=S(=O)(Cl)Cl None | Legacy Database |
| cas-density | 1.6674 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/Cl2O2S/c1-5(2,3)4 None | Legacy Database |
| cas-inchi-key | InChIKey=YBBRCQOCSYXUOC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -54.1 °C None | Legacy Database |
| cas-name | Sulfuryl chloride None | Legacy Database |
| wikipedia-name | Sulfuryl chloride None | Legacy Database |
| LogP | 0.7088000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.971 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.8996056 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.625799999999998 | RDKit |
