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Molecule
Disulfuryl Chloride
CAS: 7791-27-7 · Cl2O5S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7791-27-7
- Molecular Formula
- Cl2O5S2
- Molecular Mass
- 215.04 g/mol
Identifiers
CAS Registry Number
7791-27-7
SMILES
O=S(=O)(Cl)OS(=O)(=O)Cl
InChI Key
NNTJKSMVNWGFTB-UHFFFAOYSA-N
InChI
InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6
Names and Synonyms
- Disulfuryl Chloride Common Name
- Disulfuryl chloride Synonym
- Pyrosulfuryl chloride Synonym
- Chlorosulfonic anhydride Synonym
- Disulfur pentoxydichloride Synonym
- Sulfur pentoxydichloride Synonym
- Pyrosulfuryl chloride (S2O5Cl2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.04 g/mol | CAS Common Chemistry |
| 215.035 g/mol | RDKit | |
| 215.015 g/mol | chempirical lib | |
| Density | 1.84 g/cm³ | CAS Common Chemistry |
| 1.837 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 151 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)OS(=O)(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=NNTJKSMVNWGFTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -37 °C | CAS Common Chemistry |
| Name | Disulfuryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.51 Ų | RDKit |
| LogP | -0.029799999999999827 | RDKit |
| -0.0298 | RDKit | |
| Molar Refractivity | 30.6306 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.85642046 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
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MW = 215.04 g/mol; density = 1.840 g/mL. Edit any field — others recompute live.
