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Hydroxyethyl Disulfide
CAS: 1892-29-1 | C4H10O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1892-29-1
Molecular Formula:
C4H10O2S2
Molecular Mass:
154.26 g/mol
Names and Synonyms:
Hydroxyethyl Disulfide
Ethanol, 2,2′-dithiobis-
Ethanol, 2,2′-dithiodi-
2,2′-Dithiobis[ethanol]
Diethanol disulfide
2,2′-Dithiodiethanol
2-Hydroxyethyl disulfide
Bis(2-hydroxyethyl) disulfide
Dithiodiglycol
Hydroxyethyl disulfide
2-Hydroxyethane disulfide
3,4-Dithia-1,6-hexanediol
β-Hydroxyethyl disulfide
2-Mercaptoethanol disulfide
NSC 33920
Di(hydroxyethyl) disulfide
2,2′-Dihydroxyethyl disulfide
2,2′-Disulfanediyldiethanol
2-(2-Hydroxyethyldisulfanyl)ethanol
Identifiers:
SMILES:
OCCSSCCO
InChI:
InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
Key Properties
Boiling Point
106 °C @ Press: 0.015 Torr
CAS Common Chemistry
Melting Point
25-26 °C
CAS Common Chemistry
Density
1.17 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 | 154.26 g/mol | CAS Common Chemistry |
| 154.256 g/mol | RDKit | |
| 154.01222156 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.172 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 106 °C @ Press: 0.015 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCSSCCO | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KYNFOMQIXZUKRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25-26 °C | CAS Common Chemistry |
| Name | Hydroxyethyl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.3524 | RDKit |
| Molar Refractivity | 39.08760000000001 | RDKit |
