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Bis(Triethylstannyl) Sulfate
CAS: 57-52-3 | C12H30O4SSn2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-52-3
Molecular Formula:
C12H30O4SSn2
Molecular Mass:
507.86 g/mol
Names and Synonyms:
Bis(Triethylstannyl) Sulfate
Sulfuric acid, bis(triethylstannyl) ester
Stannane, triethylhydroxy-, sulfate (2:1)
Bis(triethyltin) sulfate
4,6-Dioxa-5-thia-3,7-distannanonane, 3,3,7,7-tetraethyl-, 5,5-dioxide
Tin, sulfatobis[triethyl-
Bis(triethylstannyl) sulfate
Triethyltin sulfate
Triethylhydroxytin sulfate
Identifiers:
SMILES:
O=S(=O)([O-])[O-].[CH2]C.[CH2]C.[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Sn+].[Sn+]
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
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 | 507.86 g/mol | CAS Common Chemistry |
| 507.85699999999997 g/mol | RDKit | |
| 509.99086984 g/mol | RDKit | |
| 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 |
| LogP | 2.9427400000000015 | RDKit |
| Molar Refractivity | 88.16860000000005 | RDKit |
