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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
Methane, 1,1′-sulfinylbis-
Methyl sulfoxide
Methane, sulfinylbis-
1,1′-Sulfinylbis[methane]
SQ 9453
DMSO
Dromisol
Dimethyl sulphoxide
Dimexide
Sulfinylbismethane
Dimethyl sulfoxide
Dolicur
DMS 70
DMS 90
Hyadur
Somipront
Infiltrina
Dipirartril-tropico
Demsodrox
Durasorb
Dimexidum
Rimso 50
Syntexan
Gamasol 90
Kemsol
Domoso
Sclerosol
Demavet
Herpid
Demeso
NSC 763
Dimethylsulfoxide
Demasorb
DMSO Evol
Methylsulfinylmethane
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.005299999999999971 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.990399999999998 | RDKit |
