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Ethane-1,2-Dithiol
CAS: 540-63-6 | C2H6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
540-63-6
Molecular Formula:
C2H6S2
Molecular Mass:
94.20 g/mol
Names and Synonyms:
Ethane-1,2-Dithiol
1,2-Ethanedithiol
Dithioethylene glycol
Ethylene dimercaptan
s-Ethylene dimercaptan
Ethylene glycol, dithio-
a-Ethylene dimercaptan
Dithioglycol
1,2-Dimercaptoethane
Ethylenedithiol
Ethylene dithioglycol
1,2-Ethylenedithiol
2-Mercaptoethanethiol
NSC 60481
1,2-Dithiolethane
EDT
1,2-Dithioethane
Ethan-1,2-dithiol
Identifiers:
SMILES:
SCCS
InChI:
InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
Key Properties
Boiling Point
146 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-41.2 °C
CAS Common Chemistry
Density
1.12 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 | 94.20 g/mol | CAS Common Chemistry |
| 94.204 g/mol | RDKit | |
| 93.991092192 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.123 g/cm3 @ Temp: 23.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethane-1,2-dithiol | CAS Common Chemistry |
| Boiling Point | 146 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | SCCS | CAS Common Chemistry |
| InChI | InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VYMPLPIFKRHAAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -41.2 °C | CAS Common Chemistry |
| Name | 1,2-Ethanedithiol | CAS Common Chemistry |
| Ethane-1,2-dithiol | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.8459999999999999 | RDKit |
| Molar Refractivity | 27.705999999999996 | RDKit |
