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Molecule
Dimethyl Disulfide
CAS: 624-92-0 · C2H6S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 624-92-0
- Molecular Formula
- C2H6S2
- Molecular Mass
- 94.20 g/mol
Identifiers
CAS Registry Number
624-92-0
SMILES
CSSC
InChI Key
WQOXQRCZOLPYPM-UHFFFAOYSA-N
InChI
InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
Names and Synonyms
- Dimethyl Disulfide Synonym
- Disulfide, dimethyl Synonym
- Methyl disulfide Synonym
- Dimethyl disulfide Synonym
- 2,3-Dithiabutane Synonym
- (Methyldithio)methane Synonym
- Dimethyl disulphide Synonym
- Sulfa-Hitech Synonym
- NSC 9370 Synonym
- DMDS Synonym
- Paladin Synonym
- 1,2-Dimethyldisulfane Synonym
- (Methyldisulfanyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.20 g/mol | CAS Common Chemistry |
| 94.20400000000001 g/mol | RDKit | |
| 94.204 g/mol | RDKit | |
| 94.19 g/mol | chempirical lib | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0625 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_disulfide | CAS Common Chemistry |
| Boiling Point | 109.8 °C | CAS Common Chemistry |
| Canonical SMILES | S(SC)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -85 °C | CAS Common Chemistry |
| Name | Dimethyl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6274 | RDKit |
| Molar Refractivity | 27.029999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 93.991092192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 94.20 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
