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Antracol 70
CAS: 12071-83-9 | C5H8N2S4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12071-83-9
Molecular Formula:
C5H8N2S4Zn
Molecular Mass:
289.79 g/mol
Names and Synonyms:
Antracol 70
Zinc, [N-[2-[(dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]-
Zinc, [propylenebis[dithiocarbamato]]-
Zinc, [[(1-methyl-1,2-ethanediyl)bis[carbamodithioato]](2-)]-
Zinc, [[2-[(dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]-
Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, zinc complex
[N-[2-[(Dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]zinc
Zinc 1,2-propylenebis(dithiocarbamate)
Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, zinc salt
Mezineb
Methylzineb
Bayer 46131
Zinc propylenebis(dithiocarbamate)
Antracol
Antracol 70
B 5078
Propineb
Cypromate
Antracol NM
Propi
Jiajidaisenxin
Bingsenxin
Antracol 70WP
Identifiers:
SMILES:
CC(CN=C([S-])[S-])N=C(S)S.[Zn+2]
InChI:
InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/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 | 289.79 g/mol | CAS Common Chemistry |
| 289.79100000000005 g/mol | RDKit | |
| 287.886174456 g/mol | RDKit | |
| Canonical SMILES | S=C([S-])NCC(NC1=[S][Zn+2][S-]1)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=KKMLIVYBGSAJPM-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Antracol 70 | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.0377999999999998 | RDKit |
| Molar Refractivity | 61.90100000000002 | RDKit |
