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Molecule
Nocceler TTFE
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
Identifiers
CAS Registry Number
14484-64-1
SMILES
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
InChI Key
WHDGWKAJBYRJJL-UHFFFAOYSA-K
InChI
InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
Names and Synonyms
- Nocceler TTFE Synonym
- Nickel Bis(Dimethyldithiocarbamate) Synonym
- Iron, tris(N,N-dimethylcarbamodithioato-κS,κS′)-, (OC-6-11)- Synonym
- Aafertis Synonym
- Tris(dimethyldithiocarbamato)iron Synonym
- Tris(N,N-dimethyldithiocarbamato)iron(III) Synonym
- Dimethyldithiocarbamic acid iron(3+) salt Synonym
- Fuklazin Synonym
- Liromate Synonym
- Tris(N,N-dimethyldithiocarbamato)iron Synonym
- Ferric N,N-dimethyldithiocarbamate Synonym
- Trimanzone Synonym
- Iron tris(dimethyldithiocarbamate) Synonym
- Sanceler TT-FE Synonym
- Iron, tris(dimethyldithiocarbamato)- Synonym
- Iron, tris(dimethylcarbamodithioato-S,S′)-, (OC-6-11)- Synonym
- Iron, tris(dimethylcarbamodithioato-κS,κS′)-, (OC-6-11)- Synonym
- Carbamodithioic acid, dimethyl-, iron complex Synonym
- (OC-6-11)-Tris(N,N-dimethylcarbamodithioato-κS,κS′)iron Synonym
- Bercema Fertam 50 Synonym
- Fermate Synonym
- Ferric dimethyldithiocarbamate Synonym
- Fuklasin Ultra Synonym
- Ferberk Synonym
- Ferradow Synonym
- Iron dimethyldithiocarbamate Synonym
- Karbam Black Synonym
- Stauffer ferbam Synonym
- Ferbam Synonym
- Hexaferb Synonym
- Ferbam 50 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 416.51 g/mol | CAS Common Chemistry |
| 416.5110000000001 g/mol | RDKit | |
| 416.511 g/mol | RDKit | |
| 421.509 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 415.91743607600006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 416.51 g/mol. Edit any field — others recompute live.
