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Deuterated Dmso
CAS: 2206-27-1 | C2H6OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2206-27-1
Molecular Formula:
C2H6OS
Molecular Mass:
84.17 g/mol
Names and Synonyms:
Deuterated Dmso
Perdeuteriodimethyl sulfoxide
Bis(trideuteriomethyl) sulfoxide
Deuterated-DMSO
Perdeuterated dimethyl sulfoxide
Perdeuterated thioacetone
Methane-d3, 1,1′-sulfinylbis-
(Methyl sulfoxide)-d6
Methane-d3, sulfinylbis-
1,1′-Sulfinylbis[methane-d3]
Dimethyl-d6 sulfoxide
Dimethyl sulfoxide-d6
Sulfinylbis(methane-d3)
DMSO-d6
Hexadeuteriodimethyl sulfoxide
Di(methyl-d3) sulfoxide
Bis(trideuteromethyl) sulfoxide
Identifiers:
SMILES:
[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
InChI:
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
Key Properties
Boiling Point
74 °C @ Press: 11 Torr
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 | 84.17 g/mol | CAS Common Chemistry |
| 84.17261066799999 g/mol | RDKit | |
| 84.051596288 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_DMSO | CAS Common Chemistry |
| Boiling Point | 74 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3 | CAS Common Chemistry |
| InChI Key | InChIKey=IAZDPXIOMUYVGZ-WFGJKAKNSA-N | CAS Common Chemistry |
| Name | DMSO-d6 | CAS Common Chemistry |
| Deuterated DMSO | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | -0.005299999999999971 | RDKit |
| Molar Refractivity | 19.990399999999998 | RDKit |
