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Molecule
Stannous Methanesulfonate
CAS: 53408-94-9 · CH4O3SSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53408-94-9
- Molecular Formula
- CH4O3SSn
- Molecular Mass
- 214.82 g/mol
Identifiers
CAS Registry Number
53408-94-9
SMILES
CS(=O)(=O)O.[Sn]
InChI Key
PGGZKNHTKRUCJS-UHFFFAOYSA-N
InChI
InChI=1S/CH4O3S.Sn/c1-5(2,3)4;/h1H3,(H,2,3,4);
Names and Synonyms
- Stannous Methanesulfonate Synonym
- Methanesulfonic acid, tin(2+) salt (2:1) Synonym
- Methanesulfonic acid, tin(2+) salt Synonym
- Tin(II) methanesulfonate Synonym
- Stannous methanesulfonate Synonym
- Stannous methylsulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.82 g/mol | CAS Common Chemistry |
| 215.890309688 g/mol | RDKit | |
| 214.818 g/mol | RDKit | |
| 216.826 g/mol | chempirical lib | |
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.55 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Sn].O=S(=O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4O3S.Sn/c1-5(2,3)4;/h1H3,(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=PGGZKNHTKRUCJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -27 °C | CAS Common Chemistry |
| Name | Stannous methanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | -0.8767999999999998 | RDKit |
| -0.8768 | RDKit | |
| Molar Refractivity | 23.226599999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 214.81799999999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 214.82 g/mol; density = 1.550 g/mL. Edit any field — others recompute live.
