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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
(Methylsulfanyl)sodium
Methylthiosodium
Sodium methyl mercaptan
Sodium methanesulfenate
Sodium methylthiolate
Methyl mercaptan sodium salt
Sodium thiomethylate
Sodium methyl sulfide
Sodium methanethiolate
Sodium thiomethoxide
Sodium methylmercaptide
Sodium, (methylthio)-
Methanethiol, sodium salt
Methanethiol, sodium salt (1:1)
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.16519999999999996 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.663999999999994 | RDKit |
