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(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
Names and Synonyms:
(T-4)-Bis(N-Ethyl-N-Phenylcarbamodithioato-Κs,Κs′)Zinc
Zinc, bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)-, (T-4)-
Zinc, bis(N-ethyldithiocarbanilato)-
Zinc, bis(ethylphenylcarbamodithioato-S,S′)-, (T-4)-
Zinc, bis(ethylphenylcarbamodithioato-κS,κS′)-, (T-4)-
Carbamodithioic acid, ethylphenyl-, zinc complex
(T-4)-Bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)zinc
Zinc ethylphenyldithiocarbamate
Carbamodithioic acid, ethylphenyl-, zinc salt
Zinc N-ethyl-N-phenyldithiocarbamate
Zinc bis(N-ethyl-N-phenyldithiocarbamate)
Accelerator EFK
Hermat FEDK
Vulkacit P extra N
Nocceler PX
Vulkacit II extra N
Zinc phenylethyldithiocarbamate
Sanceler PX
Accelerator PX
Identifiers:
SMILES:
CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c1ccccc1.[Zn+2]
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
Key Properties
Melting Point
205 °C
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 | 458.03 g/mol | CAS Common Chemistry |
| 458.03000000000003 g/mol | RDKit | |
| 455.98007484 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 118.85000000000002 | RDKit |
