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Molecule
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
Identifiers
CAS Registry Number
2206-27-1
SMILES
[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
InChI Key
IAZDPXIOMUYVGZ-WFGJKAKNSA-N
InChI
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
Names and Synonyms
- Deuterated Dmso Common Name
- Perdeuteriodimethyl sulfoxide Synonym
- Bis(trideuteriomethyl) sulfoxide Synonym
- Deuterated-DMSO Synonym
- Perdeuterated dimethyl sulfoxide Synonym
- Perdeuterated thioacetone Synonym
- Methane-d3, 1,1′-sulfinylbis- Synonym
- (Methyl sulfoxide)-d6 Synonym
- Methane-d3, sulfinylbis- Synonym
- 1,1′-Sulfinylbis[methane-d3] Synonym
- Dimethyl-d6 sulfoxide Synonym
- Dimethyl sulfoxide-d6 Synonym
- Sulfinylbis(methane-d3) Synonym
- DMSO-d6 Synonym
- Hexadeuteriodimethyl sulfoxide Synonym
- Di(methyl-d3) sulfoxide Synonym
- Bis(trideuteromethyl) sulfoxide Synonym
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 | |
| 84.1726 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_DMSO | 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 |
| 0 | RDKit | |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | -0.005299999999999971 | RDKit |
| -0.0053 | RDKit | |
| Molar Refractivity | 19.990399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 78.129 g/mol | chempirical lib |
| Boiling Point | 74 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 84.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6OS.
