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Molecule
Palladium(2+), Tetraammine-, (Sp-4-1)-, Sulfate (1:1)
CAS: 13601-06-4 · H12N4O4PdS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13601-06-4
- Molecular Formula
- H12N4O4PdS
- Molecular Mass
- 270.61 g/mol
Identifiers
CAS Registry Number
13601-06-4
SMILES
N.N.N.N.O=S(=O)([O-])[O-].[Pd+2]
InChI Key
WSPHQZJZSJENIO-UHFFFAOYSA-L
InChI
InChI=1S/4H3N.H2O4S.Pd/c;;;;1-5(2,3)4;/h4*1H3;(H2,1,2,3,4);/q;;;;;+2/p-2
Names and Synonyms
- Palladium(2+), Tetraammine-, (Sp-4-1)-, Sulfate (1:1) Systematic Name
- Palladium(2+), tetraammine-, (SP-4-1)-, sulfate (1:1) Synonym
- Palladium(2+), tetraammine-, sulfate Synonym
- Tetraamminepalladium sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.61 g/mol | CAS Common Chemistry |
| 270.60699999999997 g/mol | RDKit | |
| 270.607 g/mol | RDKit | |
| 274.632 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)([O-])[O-].[NH3][Pd+2]([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/4H3N.H2O4S.Pd/c;;;;1-5(2,3)4;/h4*1H3;(H2,1,2,3,4);/q;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WSPHQZJZSJENIO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Palladium(2+), tetraammine-, (SP-4-1)-, sulfate (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 220.26 Ų | RDKit |
| LogP | -0.6925000000000003 | RDKit |
| -0.6925 | RDKit | |
| Molar Refractivity | 30.56300000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 269.961411864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 270.61 g/mol. Edit any field — others recompute live.
