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Molecule
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
- 408.96399999999994 g/mol
Identifiers
CAS Registry Number
14239-68-0
SMILES
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2]
InChI Key
QQOALHQRKUYNIC-UHFFFAOYSA-L
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
Names and Synonyms
- Cadmium Diethyldithiocarbamate Common Name
- Cadmium diethyldithiocarbamate Synonym
- Cadmium, bis(N,N-diethylcarbamodithioato-κS,κS′)-, (T-4)- Synonym
- Cadmium, bis(diethyldithiocarbamato)- Synonym
- Cadmium, bis(diethylcarbamodithioato-S,S′)-, (T-4)- Synonym
- Cadmium, bis(diethylcarbamodithioato-κS,κS′)-, (T-4)- Synonym
- (T-4)-Bis(N,N-diethylcarbamodithioato-κS,κS′)cadmium Synonym
- Bis(diethyldithiocarbamato)cadmium Synonym
- Cadmium di(diethyldithiocarbamate) Synonym
- Cadmium bis(N,N-diethyldithiocarbamate) Synonym
- Cadmate Synonym
- Cadmium bis(diethyldithiocarbamate) Synonym
- Cd diethyldithiocarbamate Synonym
- NSC 154470 Synonym
- Accelerator CED Synonym
- CED Synonym
- Cadmium(II)-bisdithiocarbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 408.96399999999994 g/mol | RDKit |
| 409.95429114 g/mol | RDKit | |
| 408.964 g/mol | RDKit | |
| 412.97 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 408.96 g/mol | CAS Common Chemistry |
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 |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 408.96 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
