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Molecule
N-(Ethylmercury)-P-Toluenesulphonanilide
CAS: 517-16-8 · C15H17HgNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 517-16-8
- Molecular Formula
- C15H17HgNO2S
- Molecular Mass
- 475.9630000000001 g/mol
Identifiers
CAS Registry Number
517-16-8
SMILES
Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1.[CH2]C.[Hg+]
InChI Key
XAGAASDWSFGQEC-UHFFFAOYSA-N
InChI
InChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1
Names and Synonyms
- N-(Ethylmercury)-P-Toluenesulphonanilide Common Name
- Mercury, ethyl(4-methyl-N-phenylbenzenesulfonamidato-κN)- Synonym
- Mercury, ethyl(p-toluenesulfonanilidato)- Synonym
- Mercury, ethyl(4-methyl-N-phenylbenzenesulfonamidato-N)- Synonym
- Benzenesulfono-p-toluidide, N-(ethylmercuri)- Synonym
- Benzenesulfonamide, 4-methyl-N-phenyl-, mercury complex Synonym
- Ethyl(4-methyl-N-phenylbenzenesulfonamidato-κN)mercury Synonym
- Ceresan M Synonym
- Ceresan M-DB Synonym
- N-(Ethylmercuri)-p-toluenesulfonanilide Synonym
- N-(Ethylmercuri)-p-toluenesulphonanilide Synonym
- Ethylmercury p-toluenesulfonanilide Synonym
- (N-Phenyl-p-toluenesulfonamido)ethylmercury Synonym
- Mergon Synonym
- Ethylmercuric-p-toluensulfonanilide Synonym
- N-(Ethylmercury)-p-toluenesulfonanilide Synonym
- Granosan MDB Synonym
- Seed Dressing Universal Synonym
- Zaprawa Nasienna Universal R Synonym
- Mergon D Synonym
- Zaprawa Nasienna Uniwersalna Synonym
- Zaprawa Nasienna Universal Synonym
- EMTS Synonym
- N-(Ethylmercury)-p-toluenesulphonanilide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=S(=O)(C1=CC=C(C=C1)C)N([Hg]CC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=XAGAASDWSFGQEC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153-154 °C | CAS Common Chemistry |
| Name | N-(Ethylmercury)-p-toluenesulphonanilide | CAS Common Chemistry |
| Molecular Mass | 475.9630000000001 g/mol | RDKit |
| 477.068642784 g/mol | RDKit | |
| 475.963 g/mol | RDKit | |
| 477.974 g/mol | chempirical lib | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.24 Ų | RDKit |
| LogP | 4.2270100000000035 | RDKit |
| 4.227 | RDKit | |
| Molar Refractivity | 78.85680000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| Exact Mass | 475.96 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 475.96 g/mol. Edit any field — others recompute live.
