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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
Names and Synonyms:
Sulfuryl Fluoride
Sulfuryl fluoride
Sulfuric oxyfluoride
Vikane
Sulfur fluoride oxide (SO2F2)
Sulfonyl fluoride
Sulfur dioxide difluoride
Sulfur difluoride dioxide
Sulfur oxide fluoride (SF2O2)
Sulfur oxyfluoride (SO2F2)
Sulfur fluoride oxide (SF2O2)
Vikane Gas Fumigant
Sulfonyl difluoride
Sulfuryl difluoride
ProFume
Identifiers:
SMILES:
O=S(=O)(F)F
InChI:
InChI=1S/F2O2S/c1-5(2,3)4
Key Properties
Boiling Point
-55.38 °C
CAS Common Chemistry
Melting Point
-135.82 °C
CAS Common Chemistry
Density
3.72 x 10-3 g/cm3
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.06 g/mol | CAS Common Chemistry |
| 102.061 g/mol | RDKit | |
| 101.95870668 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 11.135800000000001 | RDKit |
