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N-(Ethylmercury)-P-Toluenesulphonanilide
CAS: 517-16-8 | C15H17HgNO2S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
517-16-8
Molecular Formula:
C15H17HgNO2S
Molecular Mass:
475.96 g/mol
Names and Synonyms:
N-(Ethylmercury)-P-Toluenesulphonanilide
Mercury, ethyl(4-methyl-N-phenylbenzenesulfonamidato-κN)-
Mercury, ethyl(p-toluenesulfonanilidato)-
Mercury, ethyl(4-methyl-N-phenylbenzenesulfonamidato-N)-
Benzenesulfono-p-toluidide, N-(ethylmercuri)-
Benzenesulfonamide, 4-methyl-N-phenyl-, mercury complex
Ethyl(4-methyl-N-phenylbenzenesulfonamidato-κN)mercury
Ceresan M
Ceresan M-DB
N-(Ethylmercuri)-p-toluenesulfonanilide
N-(Ethylmercuri)-p-toluenesulphonanilide
Ethylmercury p-toluenesulfonanilide
(N-Phenyl-p-toluenesulfonamido)ethylmercury
Mergon
Ethylmercuric-p-toluensulfonanilide
N-(Ethylmercury)-p-toluenesulfonanilide
Granosan MDB
Seed Dressing Universal
Zaprawa Nasienna Universal R
Mergon D
Zaprawa Nasienna Uniwersalna
Zaprawa Nasienna Universal
EMTS
N-(Ethylmercury)-p-toluenesulphonanilide
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1.[CH2]C.[Hg+]
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
Key Properties
Melting Point
153-154 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 475.96 g/mol | CAS Common Chemistry |
| 475.9630000000001 g/mol | RDKit | |
| 477.068642784 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 78.85680000000005 | RDKit |
