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Molecule
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
Identifiers
CAS Registry Number
75-18-3
SMILES
CSC
InChI Key
QMMFVYPAHWMCMS-UHFFFAOYSA-N
InChI
InChI=1S/C2H6S/c1-3-2/h1-2H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 62.14 g/mol | CAS Common Chemistry |
| 62.137 g/mol | RDKit | |
| 62.13 g/mol | chempirical lib | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8483 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 62.019021192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 62.14 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
