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Molecule
Bis(Triethylstannyl) Sulfate
CAS: 57-52-3 · C12H30O4SSn2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57-52-3
- Molecular Formula
- C12H30O4SSn2
- Molecular Mass
- 507.86 g/mol
Identifiers
CAS Registry Number
57-52-3
SMILES
O=S(=O)([O-])[O-].[CH2]C.[CH2]C.[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Sn+].[Sn+]
InChI Key
BTVURVLQSDTSSS-UHFFFAOYSA-L
InChI
InChI=1S/6C2H5.H2O4S.2Sn/c6*1-2;1-5(2,3)4;;/h6*1H2,2H3;(H2,1,2,3,4);;/q;;;;;;;2*+1/p-2
Names and Synonyms
- Bis(Triethylstannyl) Sulfate Synonym
- Sulfuric acid, bis(triethylstannyl) ester Synonym
- Stannane, triethylhydroxy-, sulfate (2:1) Synonym
- Bis(triethyltin) sulfate Synonym
- 4,6-Dioxa-5-thia-3,7-distannanonane, 3,3,7,7-tetraethyl-, 5,5-dioxide Synonym
- Tin, sulfatobis[triethyl- Synonym
- Bis(triethylstannyl) sulfate Synonym
- Triethyltin sulfate Synonym
- Triethylhydroxytin sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 507.86 g/mol | CAS Common Chemistry |
| 509.99086984 g/mol | RDKit | |
| 507.857 g/mol | RDKit | |
| 513.896 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O[Sn](CC)(CC)CC)O[Sn](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/6C2H5.H2O4S.2Sn/c6*1-2;1-5(2,3)4;;/h6*1H2,2H3;(H2,1,2,3,4);;/q;;;;;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=BTVURVLQSDTSSS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Bis(triethylstannyl) sulfate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.26 Ų | RDKit |
| 84.6 Ų | chempirical lib | |
| LogP | 2.9427400000000015 | RDKit |
| 2.9427 | RDKit | |
| Molar Refractivity | 88.16860000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 507.85699999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 507.86 g/mol. Edit any field — others recompute live.
