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Molecule
2-Mercaptoethyl Ether
CAS: 2150-02-9 · C4H10OS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2150-02-9
- Molecular Formula
- C4H10OS2
- Molecular Mass
- 138.26 g/mol
Identifiers
CAS Registry Number
2150-02-9
SMILES
SCCOCCS
InChI Key
CNDCQWGRLNGNNO-UHFFFAOYSA-N
InChI
InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2
Names and Synonyms
- 2-Mercaptoethyl Ether Synonym
- Ethanethiol, 2,2′-oxybis- Synonym
- Ethanethiol, 2,2′-oxydi- Synonym
- 2,2′-Oxybis[ethanethiol] Synonym
- Bis(2-mercaptoethyl) ether Synonym
- Dithiodiglycol Synonym
- Ethyl ether dimercaptan Synonym
- β,β′-Dimercaptodiethyl ether Synonym
- 2,2′-Dimercaptodiethyl ether Synonym
- 3-Oxapentane-1,5-dithiol Synonym
- β-Mercaptoethyl ether Synonym
- Bis(mercaptoethyl) ether Synonym
- 2,2′-Oxydi-1-ethanethiol Synonym
- 2-Mercaptoethyl ether Synonym
- 2,2′-Oxydiethanethiol Synonym
- 1,5-Dimercapto-3-oxapentane Synonym
- NSC 51020 Synonym
- NSC 6751 Synonym
- 2-(2-Sulfanylethoxy)ethane-1-thiol Synonym
- 2-(2-Sulfanylethoxy)ethyl hydrosulfide Synonym
- 2-(2-Sulfanylethoxy)ethanethiol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.26 g/mol | CAS Common Chemistry |
| 138.257 g/mol | RDKit | |
| 138.243 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.127 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 217 °C | CAS Common Chemistry |
| Canonical SMILES | SCCOCCS | CAS Common Chemistry |
| InChI | InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CNDCQWGRLNGNNO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Mercaptoethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.8626 | RDKit |
| Molar Refractivity | 38.52500000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 138.01730694 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 138.26 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
