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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 Weight:
154.256 g/mol
Names and Synonyms:
Hydroxyethyl Disulfide
2-(2-Hydroxyethyldisulfanyl)ethanol
2,2′-Disulfanediyldiethanol
2,2′-Dihydroxyethyl disulfide
Di(hydroxyethyl) disulfide
NSC 33920
2-Mercaptoethanol disulfide
β-Hydroxyethyl disulfide
3,4-Dithia-1,6-hexanediol
2-Hydroxyethane disulfide
Hydroxyethyl disulfide
Dithiodiglycol
Bis(2-hydroxyethyl) disulfide
2-Hydroxyethyl disulfide
2,2′-Dithiodiethanol
Diethanol disulfide
2,2′-Dithiobis[ethanol]
Ethanol, 2,2′-dithiodi-
Ethanol, 2,2′-dithiobis-
Identifiers:
SMILES:
OCCSSCCO
InChI:
InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.256 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.01222156 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 5 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 40.46 Ų | RDKit |
| Physical Properties | LogP | 0.3524 | RDKit |
| molecular_mass | 154.26 g/mol | Legacy Database | |
| density | 1.17 g/cm³ | Legacy Database | |
| cas-boiling-point | 106 °C @ Press: 0.015 Torr | Legacy Database | |
| cas-canonical-smile | OCCSSCCO | Legacy Database | |
| cas-density | 1.172 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=KYNFOMQIXZUKRK-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 25-26 °C | Legacy Database | |
| cas-name | Hydroxyethyl disulfide | Legacy Database | |
| Molar | Molar Refractivity | 39.08760000000001 | RDKit |
