Back to Search
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
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
Key Properties
Boiling Point
157 °C
CAS Common Chemistry
Melting Point
-100 °C
CAS Common Chemistry
Density
1.11 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.14 g/mol | CAS Common Chemistry |
| 78.136 g/mol | RDKit | |
| 78.013935812 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1143 g/cm3 @ Temp: 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 |
| Molar Refractivity | 20.938799999999993 | RDKit |
Related Molecules
Other compounds with formula C2H6OS
