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Cadmium Diethyldithiocarbamate
CAS: 14239-68-0 | C10H20CdN2S4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
14239-68-0
Molecular Formula:
C10H20CdN2S4
Molecular Mass:
408.96 g/mol
Names and Synonyms:
Cadmium Diethyldithiocarbamate
Cadmium diethyldithiocarbamate
Cadmium, bis(N,N-diethylcarbamodithioato-κS,κS′)-, (T-4)-
Cadmium, bis(diethyldithiocarbamato)-
Cadmium, bis(diethylcarbamodithioato-S,S′)-, (T-4)-
Cadmium, bis(diethylcarbamodithioato-κS,κS′)-, (T-4)-
(T-4)-Bis(N,N-diethylcarbamodithioato-κS,κS′)cadmium
Bis(diethyldithiocarbamato)cadmium
Cadmium di(diethyldithiocarbamate)
Cadmium bis(N,N-diethyldithiocarbamate)
Cadmate
Cadmium bis(diethyldithiocarbamate)
Cd diethyldithiocarbamate
NSC 154470
Accelerator CED
CED
Cadmium(II)-bisdithiocarbamate
Identifiers:
SMILES:
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2]
InChI:
InChI=1S/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
Key Properties
Melting Point
68-76 °C
CAS Common Chemistry
Density
1.39 g/cm³
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 | 408.96 g/mol | CAS Common Chemistry |
| 408.96399999999994 g/mol | RDKit | |
| 409.95429114 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Cd+2]12[S]=C([S-]2)N(CC)CC)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QQOALHQRKUYNIC-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 68-76 °C | CAS Common Chemistry |
| Name | Cadmium diethyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 2.3175 | RDKit |
| Molar Refractivity | 85.76800000000004 | RDKit |
