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Molecule
Bismuth Sulfate
CAS: 7787-68-0 · H2BiO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7787-68-0
- Molecular Formula
- H2BiO4S
- Molecular Mass
- 307.06 g/mol
Identifiers
CAS Registry Number
7787-68-0
SMILES
O=S(=O)(O)O.[Bi]
InChI Key
BLVSOZQAHVWNSE-UHFFFAOYSA-N
InChI
InChI=1S/Bi.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
Names and Synonyms
- Bismuth Sulfate Common Name
- Sulfuric acid, bismuth(3+) salt (3:2) Synonym
- Bismuth sulfate (Bi2(SO4)3) Synonym
- Dibismuth trisulfate Synonym
- Bismuth trisulfate Synonym
- Bismuth sesquisulfate Synonym
- Bismuth sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.06 g/mol | CAS Common Chemistry |
| 307.05899999999997 g/mol | RDKit | |
| 307.059 g/mol | RDKit | |
| 310.076 g/mol | chempirical lib | |
| Canonical SMILES | [Bi].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Bi.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=BLVSOZQAHVWNSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth sulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -1.0335999999999999 | RDKit |
| -1.0336 | RDKit | |
| Molar Refractivity | 19.9314 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 306.947778244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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 = 307.06 g/mol. Edit any field — others recompute live.
