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Thallium(I) Sulfate
CAS: 7446-18-6 | H2O4STl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7446-18-6
Molecular Formula:
H2O4STl2
Molecular Mass:
506.85 g/mol
Names and Synonyms:
Thallium(I) Sulfate
Sulfuric acid, thallium(1+) salt (1:2)
Sulfuric acid, dithallium(1+) salt
Thallium sulfate (Tl2(SO4))
Thallous sulfate
Thallium sulfate
Dithallium sulfate
Thallium(I) sulfate
Dithallium(1+) sulfate
C.F.S.
CSF-Giftweizen
M 7-Giftkoerner
Rattengiftkonserve
Zelio
Dithallium(I) sulfate
Identifiers:
SMILES:
O=S(=O)(O)O.[Tl].[Tl]
InChI:
InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;
Key Properties
Melting Point
632 °C
CAS Common Chemistry
Density
6.77 g/cm³
CAS Common Chemistry
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 | 506.85 g/mol | CAS Common Chemistry |
| 506.845 g/mol | RDKit | |
| 507.91623454399996 g/mol | RDKit | |
| Density | 6.77 g/cm³ | CAS Common Chemistry |
| 6.77 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallium(I)_sulfate | CAS Common Chemistry |
| Canonical SMILES | [Tl].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);; | CAS Common Chemistry |
| InChI Key | InChIKey=IZXYKRVRBPYBAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 632 °C | CAS Common Chemistry |
| Name | Thallous sulfate | CAS Common Chemistry |
| Thallium(I) sulfate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | -1.4143999999999997 | RDKit |
| Molar Refractivity | 25.6854 | RDKit |
