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Molecule
Dimethyl Sulfoxide
CAS: 67-68-5 · C2H6OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67-68-5
- Molecular Formula
- C2H6OS
- Molecular Mass
- 78.14 g/mol
Identifiers
CAS Registry Number
67-68-5
SMILES
CS(C)=O
InChI Key
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
Names and Synonyms
- Dimethyl Sulfoxide Synonym
- Methane, 1,1′-sulfinylbis- Synonym
- Methyl sulfoxide Synonym
- Methane, sulfinylbis- Synonym
- 1,1′-Sulfinylbis[methane] Synonym
- SQ 9453 Synonym
- DMSO Synonym
- Dromisol Synonym
- Dimethyl sulphoxide Synonym
- Dimexide Synonym
- Sulfinylbismethane Synonym
- Dimethyl sulfoxide Synonym
- Dolicur Synonym
- DMS 70 Synonym
- DMS 90 Synonym
- Hyadur Synonym
- Somipront Synonym
- Infiltrina Synonym
- Dipirartril-tropico Synonym
- Demsodrox Synonym
- Durasorb Synonym
- Dimexidum Synonym
- Rimso 50 Synonym
- Syntexan Synonym
- Gamasol 90 Synonym
- Kemsol Synonym
- Domoso Synonym
- Sclerosol Synonym
- Demavet Synonym
- Herpid Synonym
- Demeso Synonym
- NSC 763 Synonym
- Dimethylsulfoxide Synonym
- Demasorb Synonym
- DMSO Evol Synonym
- Methylsulfinylmethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.14 g/mol | CAS Common Chemistry |
| 78.136 g/mol | RDKit | |
| 78.129 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.100 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_sulfoxide | CAS Common Chemistry |
| Boiling Point | 189 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18.5 °C | CAS Common Chemistry |
| Name | Dimethyl sulfoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 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 | 78.013935812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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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Quick conversion
MW = 78.14 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6OS.
