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Zinc Dibenzyldithiocarbamate
CAS: 14726-36-4 | C30H28N2S4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14726-36-4
Molecular Formula:
C30H28N2S4Zn
Molecular Mass:
610.23 g/mol
Names and Synonyms:
Zinc Dibenzyldithiocarbamate
Zinc, bis[N,N-bis(phenylmethyl)carbamodithioato-κS,κS′]-, (T-4)-
Zinc, bis(dibenzyldithiocarbamato)-
Zinc, bis[bis(phenylmethyl)carbamodithioato-S,S′]-, (T-4)-
Zinc, bis[bis(phenylmethyl)carbamodithioato-κS,κS′]-, (T-4)-
(T-4)-Bis[N,N-bis(phenylmethyl)carbamodithioato-κS,κS′]zinc
Zinc dibenzyldithiocarbamate
Bis(dibenzyldithiocarbamato)zinc
Rhenogran ZBEC 70
Vulkacit ZBEC
Nocceler ZTC
Arazate
Perkacit ZBEC
Vulkacit ZBEC/C
(N,N-Dibenzyldithiocarbamato)zinc
ZBEC
Sanceler Z-BE
DBZ
Avorator ZBEC 70GE
Accelerator ZBEC
Nocceler Z
Identifiers:
SMILES:
S=C([S-])N(Cc1ccccc1)Cc1ccccc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Zn+2]
InChI:
InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
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 | 610.23 g/mol | CAS Common Chemistry |
| 610.2260000000003 g/mol | RDKit | |
| 608.042675096 g/mol | RDKit | |
| Canonical SMILES | [S]1=C([S-][Zn+2]12[S]=C([S-]2)N(CC=3C=CC=CC3)CC=4C=CC=CC4)N(CC=5C=CC=CC5)CC=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=AUMBZPPBWALQRO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc dibenzyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 7.038700000000007 | RDKit |
| Molar Refractivity | 164.18799999999962 | RDKit |
