Back to Search
Molecule
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
Identifiers
CAS Registry Number
7446-18-6
SMILES
O=S(=O)(O)O.[Tl].[Tl]
InChI Key
IZXYKRVRBPYBAG-UHFFFAOYSA-N
InChI
InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;
Names and Synonyms
- Thallium(I) Sulfate Common Name
- Sulfuric acid, thallium(1+) salt (1:2) Synonym
- Sulfuric acid, dithallium(1+) salt Synonym
- Thallium sulfate (Tl2(SO4)) Synonym
- Thallous sulfate Synonym
- Thallium sulfate Synonym
- Dithallium sulfate Synonym
- Thallium(I) sulfate Synonym
- Dithallium(1+) sulfate Synonym
- C.F.S. Synonym
- CSF-Giftweizen Synonym
- M 7-Giftkoerner Synonym
- Rattengiftkonserve Synonym
- Zelio Synonym
- Dithallium(I) sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 506.85 g/mol | CAS Common Chemistry |
| 507.91623454399996 g/mol | RDKit | |
| 506.845 g/mol | RDKit | |
| 508.848 g/mol | chempirical lib | |
| 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 |
| 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 |
| 74.6 Ų | RDKit | |
| LogP | -1.4143999999999997 | RDKit |
| -1.4144 | RDKit | |
| Molar Refractivity | 25.6854 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 506.845 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 506.85 g/mol; density = 6.770 g/mL. Edit any field — others recompute live.
