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Nickel Dimethyldithiocarbamate
CAS: 15521-65-0 | C6H12N2NiS4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15521-65-0
Molecular Formula:
C6H12N2NiS4
Molecular Mass:
299.14 g/mol
Names and Synonyms:
Nickel Dimethyldithiocarbamate
Nickel, bis(N,N-dimethylcarbamodithioato-κS,κS′)-, (SP-4-1)-
Nickel, bis(dimethyldithiocarbamato)-
Nickel, bis(dimethylcarbamodithioato-S,S′)-, (SP-4-1)-
Nickel, bis(dimethylcarbamodithioato-κS,κS′)-, (SP-4-1)-
Carbamodithioic acid, dimethyl-, nickel complex
(SP-4-1)-Bis(N,N-dimethylcarbamodithioato-κS,κS′)nickel
Nickel dimethyldithiocarbamate
Bis(dimethyldithiocarbamato)nickel
Methyl Niclate
Sankel
Robac Ni D.D.
Nickel bis(dimethyldithiocarbamate)
Nocrac NMC
Dimethyldithiocarbamatonickel
Sandite TT-NI
NDMC
Identifiers:
SMILES:
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ni+2]
InChI:
InChI=1S/2C3H7NS2.Ni/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
Key Properties
Melting Point
>290 °C
CAS Common Chemistry
Density
1.77 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 | 299.14 g/mol | CAS Common Chemistry |
| 299.137 g/mol | RDKit | |
| 297.923675284 g/mol | RDKit | |
| Density | 1.77 g/cm³ | CAS Common Chemistry |
| 1.77 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Ni+2]12[S]=C([S-]2)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C3H7NS2.Ni/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=BLCKKNLGFULNRC-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | >290 °C | CAS Common Chemistry |
| Name | Nickel 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 |
