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Copper Dimethyldithiocarbamate
CAS: 137-29-1 | C6H12CuN2S4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
137-29-1
Molecular Formula:
C6H12CuN2S4
Molecular Mass:
303.99 g/mol
Names and Synonyms:
Copper Dimethyldithiocarbamate
Copper, bis(dimethylcarbamodithioato-κS,κS′)-, (SP-4-1)-
Copper, bis(dimethyldithiocarbamato)-
Copper, bis(dimethylcarbamodithioato-S,S′)-, (SP-4-1)-
Carbamodithioic acid, dimethyl-, copper complex
(SP-4-1)-Bis(dimethylcarbamodithioato-κS,κS′)copper
Cumate
Wolfen
Carbamodithioic acid, dimethyl-, copper(2+) salt
Copper dimethyldithiocarbamate
Copper(II) dimethyldithiocarbamate
Dimethyldithiocarbamatocopper
Copper bis(dimethyldithiocarbamate)
Copper(2+) dimethyldithiocarbamate
Hermat Cu
Bis(dimethyldithiocarbamato)copper
Bis[N,N-dimethyl(dithiocarbamato-S,S′)]copper
Cupric N,N-dimethyldithiocarbamate
Bis(dimethyldithiocarbamato)copper(II)
Nocceler TTCU
NSC 32947
Sanceler TT-CU
Accelerator TTCU
CDDC
Identifiers:
SMILES:
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
InChI:
InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
Key Properties
Melting Point
260 °C (decomp)
CAS Common Chemistry
Density
1.75 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 | 303.99 g/mol | CAS Common Chemistry |
| 302.917929884 g/mol | RDKit | |
| Density | 1.75 g/cm³ | CAS Common Chemistry |
| 1.75 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Cu+2]12[S]=C([S-]2)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOUQIAGHKFLHIA-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Copper dimethyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 0.7571000000000002 | RDKit |
| Molar Refractivity | 67.30000000000003 | RDKit |
