Back to Search
Molecule
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 Mass
- 134.97 g/mol
Identifiers
CAS Registry Number
7791-25-5
SMILES
O=S(=O)(Cl)Cl
InChI Key
YBBRCQOCSYXUOC-UHFFFAOYSA-N
InChI
InChI=1S/Cl2O2S/c1-5(2,3)4
Names and Synonyms
- Sulfuryl Chloride Common Name
- Sulfuryl chloride Synonym
- Sulfuric oxychloride Synonym
- Sulfuric dichloride Synonym
- Sulfonyl chloride Synonym
- Sulfur chloride oxide (SO2Cl2) Synonym
- Sulfuryl chloride (SO2Cl2) Synonym
- Sulphuryl chloride Synonym
- Sulfuryl dichloride Synonym
- Sulfonyl dichloride Synonym
- Sulfur chloride oxide (SCl2O2) Synonym
- Sulfur oxychloride (SO2Cl2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.97 g/mol | CAS Common Chemistry |
| 134.971 g/mol | RDKit | |
| 134.958 g/mol | chempirical lib | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.6674 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuryl_chloride | CAS Common Chemistry |
| Boiling Point | 69.3 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O2S/c1-5(2,3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=YBBRCQOCSYXUOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -54.1 °C | CAS Common Chemistry |
| Name | Sulfuryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.7088000000000001 | RDKit |
| 0.7088 | RDKit | |
| Molar Refractivity | 20.625799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 133.8996056 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 = 134.97 g/mol; density = 1.670 g/mL. Edit any field — others recompute live.
