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Zineb
CAS: 12122-67-7 | C4H6N2S4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12122-67-7
Molecular Formula:
C4H6N2S4Zn
Molecular Weight:
275.76400000000007 g/mol
Names and Synonyms:
Zineb
Common Name
NSC 49513
Synonym
Azzurro
Synonym
Indofil Z 78
Synonym
Bonzeb
Synonym
Bonzeb 10
Synonym
Turbair Zineb Fungicide
Synonym
Curit
Synonym
Tritoftorol
Synonym
Zebtox
Synonym
Tiezene
Synonym
Dipher
Synonym
Phytox
Synonym
Polyram Z
Synonym
Funjeb
Synonym
Aspor C
Synonym
Zinosan
Synonym
Unizeb
Synonym
Pilzol SZ
Synonym
Thionic M
Synonym
Fungo-Pulvit
Synonym
Deikusol
Synonym
Aphytora
Synonym
Aaphytora
Synonym
Zinc N,N′-ethylenebisdithiocarbamate
Synonym
Ethylenebis[dithiocarbamic acid] zinc salt
Synonym
Ethylenebis[dithiocarbamato]zinc
Synonym
Perozin 75B
Synonym
Perozine 75B
Synonym
Discon
Synonym
Zinc ethylenebis[dithiocarbamate]
Synonym
Perozin
Synonym
Perozine
Synonym
Dithane 65
Synonym
Daisen
Synonym
Novozir
Synonym
Novozir N 50
Synonym
Dithane Z
Synonym
Zebenide
Synonym
Carbamodithioic acid, 1,2-ethanediylbis-, zinc salt
Synonym
Zineb 80
Synonym
Micide 55
Synonym
Crittox
Synonym
Asporum
Synonym
Hexathane
Synonym
Cynkotox
Synonym
Zineb
Synonym
Parzate zineb
Synonym
Novozir N
Synonym
Lonacol
Synonym
Lirotan
Synonym
Dithane Z 78
Synonym
Carbadine
Synonym
Blizene
Synonym
Aspor
Synonym
[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]zinc
Synonym
Carbamodithioic acid, 1,2-ethanediylbis-, zinc complex
Synonym
Zinc, [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]-
Synonym
Zinc, [[1,2-ethanediylbis[carbamodithioato]](2-)]-
Synonym
Zinc, [ethylenebis[dithiocarbamato]]-
Synonym
Zinc, [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]-
Synonym
Identifiers:
SMILES:
[S-]C([S-])=NCCN=C(S)S.[Zn+2]
InChI:
InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 275.76400000000007 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 273.870524392 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.72 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6493 | RDKit |
| molecular_mass | 275.76 g/mol | Legacy Database |
| density | 1.74 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Zineb None | Legacy Database |
| cas-canonical-smile | S=C([S-])NCCNC1=[S][Zn+2][S-]1 None | Legacy Database |
| cas-density | 1.74 g/cm3 (approx) @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=AMHNZOICSMBGDH-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 157 °C (decomp) None | Legacy Database |
| cas-name | Zineb None | Legacy Database |
| wikipedia-name | Zineb None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 57.30600000000002 | RDKit |