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Bis(Dibutyldithiocarbamato)Nickel
CAS: 13927-77-0 | C18H36N2NiS4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13927-77-0
Molecular Formula:
C18H36N2NiS4
Molecular Mass:
467.46 g/mol
Names and Synonyms:
Bis(Dibutyldithiocarbamato)Nickel
Nickel, bis(N,N-dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)-
Nickel, bis(dibutyldithiocarbamato)-
Nickel, bis(dibutylcarbamodithioato-S,S′)-, (SP-4-1)-
Nickel, bis(dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)-
Carbamodithioic acid, dibutyl-, nickel complex
(SP-4-1)-Bis(N,N-dibutylcarbamodithioato-κS,κS′)nickel
Nickel dibutyldithiocarbamate
Carbamodithioic acid, dibutyl-, nickel(2+) salt
Bis(dibutyldithiocarbamato)nickel
(Dibutyldithiocarbamato)nickel(II)
Nickel bis(dibutyldithiocarbamate)
Nickel(II) dibutyldithiocarbamate
NBC (stabilizer)
Rylex NBC
Bis(N,N-dibutyldithiocarbamato)nickel
Nocrac NBC
Antigene NBC
Bis(dibutyldithiocarbamato)nickel(II)
BNI
NBC
Sandant NBC
Perkacit NDBC
NSC 4797
Rhenogran NDBC 70ECO
Antage NBC
Antioxidant NBC
Nickel N,N-dibutyldithiocarbamate
NDBC
Identifiers:
SMILES:
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
InChI:
InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
Key Properties
Density
1.26 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 | 467.46 g/mol | CAS Common Chemistry |
| 467.4610000000002 g/mol | RDKit | |
| 466.111476052 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.26 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Ni+2]12[S]=C([S-]2)N(CCCC)CCCC)N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HPOWMHUJHHIQGP-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Bis(dibutyldithiocarbamato)nickel | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 5.438300000000006 | RDKit |
| Molar Refractivity | 122.70400000000006 | RDKit |
