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Methylsulfonylmethane
CAS: 67-71-0 | C2H6O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-71-0
Molecular Formula:
C2H6O2S
Molecular Mass:
94.14 g/mol
Names and Synonyms:
Methylsulfonylmethane
Methane, 1,1′-sulfonylbis-
Methyl sulfone
Methane, sulfonylbis-
1,1′-Sulfonylbis[methane]
Dimethyl sulfone
Methylsulfonylmethane
Dimethyl sulphone
MSM
Lignisul MSM
NSC 63345
Opti MSM
Opti-dimethyl sulfone
Identifiers:
SMILES:
CS(C)(=O)=O
InChI:
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
Key Properties
Boiling Point
238 °C
CAS Common Chemistry
Melting Point
109 °C
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 | 94.14 g/mol | CAS Common Chemistry |
| 94.13499999999999 g/mol | RDKit | |
| 94.008850432 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylsulfonylmethane | CAS Common Chemistry |
| Boiling Point | 238 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HHVIBTZHLRERCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | Dimethyl sulfone | CAS Common Chemistry |
| Methylsulfonylmethane | 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 | -0.33919999999999995 | RDKit |
| Molar Refractivity | 20.767799999999994 | RDKit |
