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Mancozeb
CAS: 8018-01-7 | C8H12MnN4S8Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
8018-01-7
Molecular Formula:
C8H12MnN4S8Zn
Molecular Weight:
541.0760000000002 g/mol
Names and Synonyms:
Mancozeb
Manganese, [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]-, mixt. with [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]zinc
Manganese, [[1,2-ethanediylbis[carbamodithioato]](2-)]-, mixt. with [[1,2-ethanediylbis[carbamodithioato]](2-)]zinc
Carbamic acid, ethylenebis[dithio-, manganese zinc complex
Manganese, [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]-, mixt. with [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]zinc
Carbamodithioic acid, 1,2-ethanediylbis-, zinc complex
Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex
Zinc, [[1,2-ethanediylbis[carbamodithioato]](2-)]-, mixt. contg.
Zinc, [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]-, mixt. contg.
Dithane M 45
Mancozeb
Manoseb
Marzin
Zinc manganese ethylenebisdithiocarbamate
Dithane ultra
F 2966
Fore
Zimanat
Manzate 200
Green-daisen M
Manzeb
Dithane SPC
Vondozeb
Maneb-zinc
Dithane S 60
Carmazine
Karamate
Zimaneb
Ziman-Dithane
Novozir MN 80
Tanzeo M 45
Othane M 45
Kascade
Manzidan
Mancozan
Milcozebe
Tritogol MZ
Mancozi
Mancomix
Dithane F
Nemispor
Mancosan
Agrox 16D
Dithane M80
Penncozeb
Dithane 945
Karamate N
Thane M 45
Novozir MN
Dithane DG
Pennfluid
Sancozeb
Liro manzeb
Indofil M 45
Dithane F 45
Dithane
Sandozeb Pepite
Mankogal
Pencozeb
Mycotrin
Diesen M
Sakozeb Blue
Dithane DG NT
Dithane OS
Dithane Rainshield Neo Tec
Mancozebe Sipcam
Contizeb
Suncozeb
Dhanuka M 45
Dithane Neo Tec 75WG
Jimanaisen
Jimandaisen
Hi-shield
Indofil 80WP
Trimanoc
Daisenmengxin
Dithane M45
Greenzeb 80WP
Indofil M45
Agrozeb 80WP
Dithane 60SC
Banazeb 60SC
Dithane NT
Mount 45
Identifiers:
SMILES:
SC(S)=NCCN=C(S)S.[Mn+2].[S-]C([S-])=NCCN=C([S-])[S-].[Zn+2]
InChI:
InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 541.08 g/mol | Legacy Database |
| density | 1.92 g/cm³ | Legacy Database |
| cas-canonical-smile | S=C([S-])NCCNC1=[S][Mn+2][S-]1.S=C([S-])NCCNC1=[S][Zn+2][S-]1 None | Legacy Database |
| cas-density | 1.92 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4 None | Legacy Database |
| cas-inchi-key | InChIKey=CHNQZRKUZPNOOH-UHFFFAOYSA-J None | Legacy Database |
| cas-melting-point | 192-204 °C (decomp) None | Legacy Database |
| cas-name | Mancozeb None | Legacy Database |
| LogP | 1.2986 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 541.0760000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 538.749951684 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.44 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 114.612 | RDKit |
