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Sodium Methanethiolate
CAS: 5188-07-8 | CH4NaS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5188-07-8
Molecular Formula:
CH4NaS
Molecular Weight:
71.10000000000001 g/mol
Names and Synonyms:
Sodium Methanethiolate
Common Name
(Methylsulfanyl)sodium
Synonym
Methylthiosodium
Synonym
Sodium methyl mercaptan
Synonym
Sodium methanesulfenate
Synonym
Sodium methylthiolate
Synonym
Methyl mercaptan sodium salt
Synonym
Sodium thiomethylate
Synonym
Sodium methyl sulfide
Synonym
Sodium methanethiolate
Synonym
Sodium thiomethoxide
Synonym
Sodium methylmercaptide
Synonym
Sodium, (methylthio)-
Synonym
Methanethiol, sodium salt
Synonym
Methanethiol, sodium salt (1:1)
Synonym
Identifiers:
SMILES:
CS.[Na]
InChI:
InChI=1S/CH4S.Na/c1-2;/h2H,1H3;
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 | 71.10 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_methanethiolate None | Legacy Database |
| cas-canonical-smile | [Na].SC None | Legacy Database |
| cas-inchi | InChI=1S/CH4S.Na/c1-2;/h2H,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=XHXXWWGGXFUMAJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium methanethiolate None | Legacy Database |
| wikipedia-name | Sodium methanethiolate None | Legacy Database |
| LogP | 0.16519999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.10000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.993140408 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.663999999999994 | RDKit |