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Molecule
2-Mercaptoethanol
CAS: 60-24-2 · C2H6OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-24-2
- Molecular Formula
- C2H6OS
- Molecular Mass
- 78.14 g/mol
Identifiers
CAS Registry Number
60-24-2
SMILES
OCCS
InChI Key
DGVVWUTYPXICAM-UHFFFAOYSA-N
InChI
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
Names and Synonyms
- 2-Mercaptoethanol Synonym
- Ethanol, 2-mercapto- Synonym
- 2-Mercaptoethanol Synonym
- 2-ME Synonym
- Ethylene glycol, monothio- Synonym
- 2-Hydroxyethyl mercaptan Synonym
- Mercaptoethanol Synonym
- β-Mercaptoethanol Synonym
- Thiomonoglycol Synonym
- 2-Mercaptoethyl alcohol Synonym
- β-Hydroxyethanethiol Synonym
- β-Hydroxyethylmercaptan Synonym
- Monothioethylene glycol Synonym
- Monothioglycol Synonym
- 2-Hydroxy-1-ethanethiol Synonym
- 2-Hydroxyethanethiol Synonym
- Thioethylene glycol Synonym
- 1-Hydroxy-2-mercaptoethane Synonym
- 1-Mercapto-2-hydroxyethane Synonym
- 2-Mercapto-1-ethanol Synonym
- Hydroxyethyl mercaptan Synonym
- NSC 3723 Synonym
- 2-Sulfanylethanol Synonym
- 2-Sulfanylethan-1-ol Synonym
- β-Mercapto Synonym
- Beta-mercaptoethanol Synonym
- Beta-mercapto Synonym
- BME Synonym
- 2BME Synonym
- β-met Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.14 g/mol | CAS Common Chemistry |
| 78.136 g/mol | RDKit | |
| 78.129 g/mol | chempirical lib | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1143 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Mercaptoethanol | CAS Common Chemistry |
| Boiling Point | 157 °C | CAS Common Chemistry |
| Canonical SMILES | OCCS | CAS Common Chemistry |
| InChI | InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DGVVWUTYPXICAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -100 °C | CAS Common Chemistry |
| Name | 2-Mercaptoethanol | 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 | 20.23 Ų | RDKit |
| LogP | -0.09150000000000003 | RDKit |
| -0.0915 | RDKit | |
| Molar Refractivity | 20.938799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 78.013935812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| 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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Quick conversion
MW = 78.14 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6OS.
