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Maneb
CAS: 12427-38-2 | C4H6MnN2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12427-38-2
- Molecular Formula
- C4H6MnN2S4
- Molecular Mass
- 265.31 g/mol
Identifiers
CAS Registry Number
12427-38-2
SMILES
[Mn+2].[S-]C([S-])=NCCN=C(S)S
InChI Key
YKSNLCVSTHTHJA-UHFFFAOYSA-L
InChI
InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
Names and Synonyms
- Maneb Common Name
- Manganese, [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]- Synonym
- Manganese, [ethylenebis[dithiocarbamato]]- Synonym
- Manganese, [[1,2-ethanediylbis[carbamodithioato]](2-)]- Synonym
- Manganese, [[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]- Synonym
- Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex Synonym
- [N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS′]manganese Synonym
- Dithane M 22 Synonym
- Maneb Synonym
- Manzate Synonym
- F 10 Synonym
- Manzate D Synonym
- Polyram M Synonym
- Nereb Synonym
- Manesan Synonym
- Trimangol Synonym
- Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1) Synonym
- 1,2-Ethylenediylbis(carbamodithioato)manganese Synonym
- Rhodianebe Synonym
- Trimangol 80 Synonym
- AAmangan Synonym
- F 10 (pesticide) Synonym
- Ethylenebis[dithiocarbamic acid] manganous salt Synonym
- Manganous ethylenebis[dithiocarbamate] Synonym
- Maneb 80 Synonym
- Nespor Synonym
- Plantifog 160M Synonym
- Manex Synonym
- Agrox flowable Synonym
- Tritogol M Synonym
- Agrox N-M Synonym
- Manebgan Synonym
- NM Drill Box Synonym
- ZZ-Maneb Col Synonym
- Graneor Synonym
- Saneb M 22 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.31 g/mol | CAS Common Chemistry |
| 265.31199999999995 g/mol | RDKit | |
| 265.312 g/mol | RDKit | |
| 269.316 g/mol | chempirical lib | |
| Density | 1.92 g/cm³ | CAS Common Chemistry |
| 1.92 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Maneb | CAS Common Chemistry |
| Canonical SMILES | S=C([S-])NCCNC1=[S][Mn+2][S-]1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YKSNLCVSTHTHJA-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 192-204 °C (decomp) | CAS Common Chemistry |
| Name | Maneb | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 0.6493 | RDKit |
| Molar Refractivity | 57.30600000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 264.879427292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
