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Molecule
Bis(Dibutyldithiocarbamato)Nickel
CAS: 13927-77-0 · C18H36N2NiS4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13927-77-0
- Molecular Formula
- C18H36N2NiS4
- Molecular Mass
- 467.46 g/mol
Identifiers
CAS Registry Number
13927-77-0
SMILES
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
InChI Key
HPOWMHUJHHIQGP-UHFFFAOYSA-L
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
Names and Synonyms
- Bis(Dibutyldithiocarbamato)Nickel Common Name
- Nickel, bis(N,N-dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)- Synonym
- Nickel, bis(dibutyldithiocarbamato)- Synonym
- Nickel, bis(dibutylcarbamodithioato-S,S′)-, (SP-4-1)- Synonym
- Nickel, bis(dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)- Synonym
- Carbamodithioic acid, dibutyl-, nickel complex Synonym
- (SP-4-1)-Bis(N,N-dibutylcarbamodithioato-κS,κS′)nickel Synonym
- Nickel dibutyldithiocarbamate Synonym
- Carbamodithioic acid, dibutyl-, nickel(2+) salt Synonym
- Bis(dibutyldithiocarbamato)nickel Synonym
- (Dibutyldithiocarbamato)nickel(II) Synonym
- Nickel bis(dibutyldithiocarbamate) Synonym
- Nickel(II) dibutyldithiocarbamate Synonym
- NBC (stabilizer) Synonym
- Rylex NBC Synonym
- Bis(N,N-dibutyldithiocarbamato)nickel Synonym
- Nocrac NBC Synonym
- Antigene NBC Synonym
- Bis(dibutyldithiocarbamato)nickel(II) Synonym
- BNI Synonym
- NBC Synonym
- Sandant NBC Synonym
- Perkacit NDBC Synonym
- NSC 4797 Synonym
- Rhenogran NDBC 70ECO Synonym
- Antage NBC Synonym
- Antioxidant NBC Synonym
- Nickel N,N-dibutyldithiocarbamate Synonym
- NDBC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 467.46 g/mol | CAS Common Chemistry |
| 467.4610000000002 g/mol | RDKit | |
| 467.461 g/mol | RDKit | |
| 471.465 g/mol | chempirical lib | |
| 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 |
| 5.4383 | RDKit | |
| Molar Refractivity | 122.70400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 466.111476052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 467.46 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
