Back to Search
Molecule
Ethanethiol
CAS: 75-08-1 · C2H6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-08-1
- Molecular Formula
- C2H6S
- Molecular Mass
- 62.14 g/mol
Identifiers
CAS Registry Number
75-08-1
SMILES
CCS
InChI Key
DNJIEGIFACGWOD-UHFFFAOYSA-N
InChI
InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
Names and Synonyms
- Ethanethiol Common Name
- Ethanethiol Synonym
- Ethyl hydrosulfide Synonym
- Ethyl mercaptan Synonym
- Ethyl thioalcohol Synonym
- Thioethanol Synonym
- Thioethyl alcohol Synonym
- Mercaptoethane Synonym
- NSC 93877 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 62.14 g/mol | CAS Common Chemistry |
| 62.137 g/mol | RDKit | |
| 62.13 g/mol | chempirical lib | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.83907 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethanethiol | CAS Common Chemistry |
| Canonical SMILES | SCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DNJIEGIFACGWOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -144.4 °C | CAS Common Chemistry |
| Name | Ethanethiol | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.9360999999999999 | RDKit |
| 0.9361 | RDKit | |
| Molar Refractivity | 19.526999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 62.019021192 g/mol | RDKit |
| Boiling Point | 35 °C @ 760 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
Convert
Quick conversion
MW = 62.14 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
