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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 Mass:
62.14 g/mol
Names and Synonyms:
Dimethyl Sulfide
Methane, 1,1′-thiobis-
Methyl sulfide
Methane, thiobis-
1,1′-Thiobis[methane]
Dimethyl sulfide
DMS
2-Thiapropane
Dimethyl thioether
Methyl monosulfide
Dimethyl monosulfide
Dimethyl sulphide
Thiobis(methane)
Methylthiomethane
Dimethylsulfane
(Methylsulfanyl)methane
Identifiers:
SMILES:
CSC
InChI:
InChI=1S/C2H6S/c1-3-2/h1-2H3
Key Properties
Boiling Point
37.3 °C
CAS Common Chemistry
Melting Point
-98.3 °C
CAS Common Chemistry
Density
0.85 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 62.14 g/mol | CAS Common Chemistry |
| 62.137 g/mol | RDKit | |
| 62.019021192 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8483 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_sulfide | CAS Common Chemistry |
| Boiling Point | 37.3 °C | CAS Common Chemistry |
| Canonical SMILES | S(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6S/c1-3-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -98.3 °C | CAS Common Chemistry |
| Name | Dimethyl sulfide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.9792 | RDKit |
| Molar Refractivity | 19.438999999999997 | RDKit |
