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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 Weight:
78.136 g/mol
Names and Synonyms:
2-Mercaptoethanol
Ethanol, 2-mercapto-
2-Mercaptoethanol
2-ME
Ethylene glycol, monothio-
2-Hydroxyethyl mercaptan
Mercaptoethanol
β-Mercaptoethanol
Thiomonoglycol
2-Mercaptoethyl alcohol
β-Hydroxyethanethiol
β-Hydroxyethylmercaptan
Monothioethylene glycol
Monothioglycol
2-Hydroxy-1-ethanethiol
2-Hydroxyethanethiol
Thioethylene glycol
1-Hydroxy-2-mercaptoethane
1-Mercapto-2-hydroxyethane
2-Mercapto-1-ethanol
Hydroxyethyl mercaptan
NSC 3723
2-Sulfanylethanol
2-Sulfanylethan-1-ol
β-Mercapto
Beta-mercaptoethanol
Beta-mercapto
BME
2BME
β-met
Identifiers:
SMILES:
OCCS
InChI:
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 78.14 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Mercaptoethanol None | Legacy Database |
| cas-boiling-point | 157 °C None | Legacy Database |
| cas-canonical-smile | OCCS None | Legacy Database |
| cas-density | 1.1143 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DGVVWUTYPXICAM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -100 °C None | Legacy Database |
| cas-name | 2-Mercaptoethanol None | Legacy Database |
| wikipedia-name | 2-Mercaptoethanol None | Legacy Database |
| LogP | -0.09150000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.136 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 78.013935812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.938799999999993 | RDKit |
