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Molecule
Sulfuryl Fluoride
CAS: 2699-79-8 · F2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2699-79-8
- Molecular Formula
- F2O2S
- Molecular Mass
- 102.06 g/mol
Identifiers
CAS Registry Number
2699-79-8
SMILES
O=S(=O)(F)F
InChI Key
OBTWBSRJZRCYQV-UHFFFAOYSA-N
InChI
InChI=1S/F2O2S/c1-5(2,3)4
Names and Synonyms
- Sulfuryl Fluoride Common Name
- Sulfuryl fluoride Synonym
- Sulfuric oxyfluoride Synonym
- Vikane Synonym
- Sulfur fluoride oxide (SO2F2) Synonym
- Sulfonyl fluoride Synonym
- Sulfur dioxide difluoride Synonym
- Sulfur difluoride dioxide Synonym
- Sulfur oxide fluoride (SF2O2) Synonym
- Sulfur oxyfluoride (SO2F2) Synonym
- Sulfur fluoride oxide (SF2O2) Synonym
- Vikane Gas Fumigant Synonym
- Sulfonyl difluoride Synonym
- Sulfuryl difluoride Synonym
- ProFume Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.06 g/mol | CAS Common Chemistry |
| 102.061 g/mol | RDKit | |
| 102.054 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuryl_fluoride | CAS Common Chemistry |
| Boiling Point | -55.38 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)F | CAS Common Chemistry |
| Density | 3.72 x 10-3 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/F2O2S/c1-5(2,3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=OBTWBSRJZRCYQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -135.82 °C | CAS Common Chemistry |
| Name | Sulfonyl fluoride | CAS Common Chemistry |
| Sulfuryl fluoride | 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 | 0.17020000000000013 | RDKit |
| 0.1702 | RDKit | |
| Molar Refractivity | 11.135800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 101.95870668 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 102.06 g/mol. Edit any field — others recompute live.
