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Molecule
Silver Tosylate
CAS: 16836-95-6 · C7H8AgO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16836-95-6
- Molecular Formula
- C7H8AgO3S
- Molecular Mass
- 280.07 g/mol
Identifiers
CAS Registry Number
16836-95-6
SMILES
Cc1ccc(S(=O)(=O)O)cc1.[Ag]
InChI Key
BRYKBDMLJJLFAB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);
Names and Synonyms
- Silver Tosylate Common Name
- Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1) Synonym
- p-Toluenesulfonic acid, silver(1+) salt Synonym
- Benzenesulfonic acid, 4-methyl-, silver(1+) salt Synonym
- Silver tosylate Synonym
- Silver p-toluenesulfonate Synonym
- Silver p-tosylate Synonym
- Silver p-methylbenzenesulfonate Synonym
- Silver 4-methylbenzenesulfonate Synonym
- Silver(1+) p-toluenesulfonate Synonym
- Silver(1+) 4-toluenesulfonate Synonym
- Silver p-tolylsulfonate Synonym
- Silver(I) tosylate Synonym
- Silver(1+) 4-methylbenzenesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.07 g/mol | CAS Common Chemistry |
| 280.073 g/mol | RDKit | |
| 281.074 g/mol | chempirical lib | |
| Canonical SMILES | [Ag].O=S(=O)(O)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=BRYKBDMLJJLFAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | Silver tosylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 1.23922 | RDKit |
| 1.2392 | RDKit | |
| Molar Refractivity | 40.993600000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 278.924512116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 280.07 g/mol. Edit any field — others recompute live.
