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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 Mass:
71.10 g/mol
Names and Synonyms:
Sodium Methanethiolate
Methanethiol, sodium salt (1:1)
Methanethiol, sodium salt
Sodium, (methylthio)-
Sodium methylmercaptide
Sodium thiomethoxide
Sodium methanethiolate
Sodium methyl sulfide
Sodium thiomethylate
Methyl mercaptan sodium salt
Sodium methylthiolate
Sodium methanesulfenate
Sodium methyl mercaptan
Methylthiosodium
(Methylsulfanyl)sodium
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.10 g/mol | CAS Common Chemistry |
| 71.10000000000001 g/mol | RDKit | |
| 70.993140408 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_methanethiolate | CAS Common Chemistry |
| Canonical SMILES | [Na].SC | CAS Common Chemistry |
| InChI | InChI=1S/CH4S.Na/c1-2;/h2H,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=XHXXWWGGXFUMAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium methanethiolate | 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 | 0.16519999999999996 | RDKit |
| Molar Refractivity | 20.663999999999994 | RDKit |
