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Methanethiol
CAS: 74-93-1 | CH4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-93-1
Molecular Formula:
CH4S
Molecular Mass:
48.11 g/mol
Names and Synonyms:
Methanethiol
Methanethiol
Mercaptomethane
Methyl mercaptan
Identifiers:
SMILES:
CS
InChI:
InChI=1S/CH4S/c1-2/h2H,1H3
Key Properties
Boiling Point
5.95 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-123 °C
CAS Common Chemistry
Density
0.96 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 | 48.11 g/mol | CAS Common Chemistry |
| 48.11000000000001 g/mol | RDKit | |
| 48.003371128 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9600 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanethiol | CAS Common Chemistry |
| Boiling Point | 5.95 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | SC | CAS Common Chemistry |
| InChI | InChI=1S/CH4S/c1-2/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -123 °C | CAS Common Chemistry |
| Name | Methanethiol | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | 0.546 | RDKit |
| Molar Refractivity | 14.910000000000002 | RDKit |
