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Molecule
(T-4)-Bis(N-Ethyl-N-Phenylcarbamodithioato-Κs,Κs′)Zinc
CAS: 14634-93-6 · C18H20N2S4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14634-93-6
- Molecular Formula
- C18H20N2S4Zn
- Molecular Mass
- 458.03 g/mol
Identifiers
CAS Registry Number
14634-93-6
SMILES
CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c1ccccc1.[Zn+2]
InChI Key
KMNUDJAXRXUZQS-UHFFFAOYSA-L
InChI
InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2
Names and Synonyms
- (T-4)-Bis(N-Ethyl-N-Phenylcarbamodithioato-Κs,Κs′)Zinc Systematic Name
- Zinc, bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)-, (T-4)- Synonym
- Zinc, bis(N-ethyldithiocarbanilato)- Synonym
- Zinc, bis(ethylphenylcarbamodithioato-S,S′)-, (T-4)- Synonym
- Zinc, bis(ethylphenylcarbamodithioato-κS,κS′)-, (T-4)- Synonym
- Carbamodithioic acid, ethylphenyl-, zinc complex Synonym
- (T-4)-Bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)zinc Synonym
- Zinc ethylphenyldithiocarbamate Synonym
- Carbamodithioic acid, ethylphenyl-, zinc salt Synonym
- Zinc N-ethyl-N-phenyldithiocarbamate Synonym
- Zinc bis(N-ethyl-N-phenyldithiocarbamate) Synonym
- Accelerator EFK Synonym
- Hermat FEDK Synonym
- Vulkacit P extra N Synonym
- Nocceler PX Synonym
- Vulkacit II extra N Synonym
- Zinc phenylethyldithiocarbamate Synonym
- Sanceler PX Synonym
- Accelerator PX Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 458.03 g/mol | CAS Common Chemistry |
| 458.03000000000003 g/mol | RDKit | |
| 462.024 g/mol | chempirical lib | |
| Canonical SMILES | [S]1=C([S-][Zn+2]12[S]=C([S-]2)N(C=3C=CC=CC3)CC)N(C=4C=CC=CC4)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=KMNUDJAXRXUZQS-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | (T-4)-Bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)zinc | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 4.686900000000004 | RDKit |
| 4.6869 | RDKit | |
| Molar Refractivity | 118.85000000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 455.98007484 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 = 458.03 g/mol. Edit any field — others recompute live.
