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Dimethyl Sulfide
CAS: 75-18-3 | C2H6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-18-3
Molecular Formula:
C2H6S
Molecular Weight:
62.137 g/mol
Names and Synonyms:
Dimethyl Sulfide
Synonym
Methane, 1,1′-thiobis-
Synonym
Methyl sulfide
Synonym
Methane, thiobis-
Synonym
1,1′-Thiobis[methane]
Synonym
Dimethyl sulfide
Synonym
DMS
Synonym
2-Thiapropane
Synonym
Dimethyl thioether
Synonym
Methyl monosulfide
Synonym
Dimethyl monosulfide
Synonym
Dimethyl sulphide
Synonym
Thiobis(methane)
Synonym
Methylthiomethane
Synonym
Dimethylsulfane
Synonym
(Methylsulfanyl)methane
Synonym
Identifiers:
SMILES:
CSC
InChI:
InChI=1S/C2H6S/c1-3-2/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 | 62.14 g/mol | Legacy Database |
| density | 0.85 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl_sulfide None | Legacy Database |
| cas-boiling-point | 37.3 °C None | Legacy Database |
| cas-canonical-smile | S(C)C None | Legacy Database |
| cas-density | 0.8483 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6S/c1-3-2/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -98.3 °C None | Legacy Database |
| cas-name | Dimethyl sulfide None | Legacy Database |
| wikipedia-name | Dimethyl sulfide None | Legacy Database |
| LogP | 0.9792 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 62.137 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 62.019021192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.438999999999997 | RDKit |