Back to Search
Sodium Methanesulfinate
CAS: 20277-69-4 | CH4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20277-69-4
Molecular Formula:
CH4NaO2S
Molecular Mass:
103.10 g/mol
Names and Synonyms:
Sodium Methanesulfinate
Methanesulfinic acid, sodium salt (1:1)
Methanesulfinic acid, sodium salt
Sodium methanesulfinate
Sodium methylsulfinate
Identifiers:
SMILES:
CS(=O)O.[Na]
InChI:
InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);
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 | 103.10 g/mol | CAS Common Chemistry |
| 103.098 g/mol | RDKit | |
| 102.98296964800001 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=RHDUOFVTCTUTFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium methanesulfinate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.5428999999999999 | RDKit |
| Molar Refractivity | 22.449199999999994 | RDKit |
