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Nickel Bis(Dimethyldithiocarbamate)
CAS: 14484-64-1 | C9H18FeN3S6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
14484-64-1
Molecular Formula:
C9H18FeN3S6
Molecular Mass:
416.51 g/mol
Names and Synonyms:
Nickel Bis(Dimethyldithiocarbamate)
Iron, tris(N,N-dimethylcarbamodithioato-κS,κS′)-, (OC-6-11)-
Aafertis
Tris(dimethyldithiocarbamato)iron
Tris(N,N-dimethyldithiocarbamato)iron(III)
Dimethyldithiocarbamic acid iron(3+) salt
Fuklazin
Liromate
Tris(N,N-dimethyldithiocarbamato)iron
Ferric N,N-dimethyldithiocarbamate
Trimanzone
Iron tris(dimethyldithiocarbamate)
Nocceler TTFE
Sanceler TT-FE
Iron, tris(dimethyldithiocarbamato)-
Iron, tris(dimethylcarbamodithioato-S,S′)-, (OC-6-11)-
Iron, tris(dimethylcarbamodithioato-κS,κS′)-, (OC-6-11)-
Carbamodithioic acid, dimethyl-, iron complex
(OC-6-11)-Tris(N,N-dimethylcarbamodithioato-κS,κS′)iron
Bercema Fertam 50
Fermate
Ferric dimethyldithiocarbamate
Fuklasin Ultra
Ferberk
Ferradow
Iron dimethyldithiocarbamate
Karbam Black
Stauffer ferbam
Ferbam
Hexaferb
Ferbam 50
Identifiers:
SMILES:
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
InChI:
InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
Key Properties
Melting Point
>180 °C (decomp)
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 | 416.51 g/mol | CAS Common Chemistry |
| 416.5110000000001 g/mol | RDKit | |
| 415.91743607600006 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel_bis(dimethyldithiocarbamate) | CAS Common Chemistry |
| Canonical SMILES | [S]1=C([S-][Fe+3]123([S]=C([S-]2)N(C)C)[S]=C([S-]3)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=WHDGWKAJBYRJJL-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | >180 °C (decomp) | CAS Common Chemistry |
| Name | Ferbam | CAS Common Chemistry |
| Nickel bis(dimethyldithiocarbamate) | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| LogP | 1.1369 | RDKit |
| Molar Refractivity | 100.95000000000003 | RDKit |
