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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 Weight:
78.136 g/mol
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
Identifiers:
SMILES:
CS(C)=O
InChI:
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 78.14 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl_sulfoxide None | Legacy Database |
| cas-boiling-point | 189 °C None | Legacy Database |
| cas-canonical-smile | O=S(C)C None | Legacy Database |
| cas-density | 1.100 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 18.5 °C None | Legacy Database |
| cas-name | Dimethyl sulfoxide None | Legacy Database |
| wikipedia-name | Dimethyl sulfoxide None | Legacy Database |
| LogP | -0.005299999999999971 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.136 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 78.013935812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.07 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.990399999999998 | RDKit |