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Molecule
Hydroxyethyl Disulfide
CAS: 1892-29-1 · C4H10O2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1892-29-1
- Molecular Formula
- C4H10O2S2
- Molecular Mass
- 154.26 g/mol
Identifiers
CAS Registry Number
1892-29-1
SMILES
OCCSSCCO
InChI Key
KYNFOMQIXZUKRK-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
Names and Synonyms
- Hydroxyethyl Disulfide Common Name
- Ethanol, 2,2′-dithiobis- Synonym
- Ethanol, 2,2′-dithiodi- Synonym
- 2,2′-Dithiobis[ethanol] Synonym
- Diethanol disulfide Synonym
- 2,2′-Dithiodiethanol Synonym
- 2-Hydroxyethyl disulfide Synonym
- Bis(2-hydroxyethyl) disulfide Synonym
- Dithiodiglycol Synonym
- Hydroxyethyl disulfide Synonym
- 2-Hydroxyethane disulfide Synonym
- 3,4-Dithia-1,6-hexanediol Synonym
- β-Hydroxyethyl disulfide Synonym
- 2-Mercaptoethanol disulfide Synonym
- NSC 33920 Synonym
- Di(hydroxyethyl) disulfide Synonym
- 2,2′-Dihydroxyethyl disulfide Synonym
- 2,2′-Disulfanediyldiethanol Synonym
- 2-(2-Hydroxyethyldisulfanyl)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.26 g/mol | CAS Common Chemistry |
| 154.256 g/mol | RDKit | |
| 154.242 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.172 g/cm3 @ 25 °C | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.01222156 g/mol | RDKit |
| Boiling Point | 106 °C @ 0.015 Torr | CAS Common Chemistry |
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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MW = 154.26 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O2S2.
