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Molecule
Antracol 70
CAS: 12071-83-9 · C5H8N2S4Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12071-83-9
- Molecular Formula
- C5H8N2S4Zn
- Molecular Mass
- 289.79 g/mol
Identifiers
CAS Registry Number
12071-83-9
SMILES
CC(CN=C([S-])[S-])N=C(S)S.[Zn+2]
InChI Key
KKMLIVYBGSAJPM-UHFFFAOYSA-L
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
Names and Synonyms
- Antracol 70 Synonym
- Zinc, [N-[2-[(dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]- Synonym
- Zinc, [propylenebis[dithiocarbamato]]- Synonym
- Zinc, [[(1-methyl-1,2-ethanediyl)bis[carbamodithioato]](2-)]- Synonym
- Zinc, [[2-[(dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]- Synonym
- Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, zinc complex Synonym
- [N-[2-[(Dithiocarboxy)amino]-1-methylethyl]carbamodithioato(2-)-κS,κS′]zinc Synonym
- Zinc 1,2-propylenebis(dithiocarbamate) Synonym
- Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, zinc salt Synonym
- Mezineb Synonym
- Methylzineb Synonym
- Bayer 46131 Synonym
- Zinc propylenebis(dithiocarbamate) Synonym
- Antracol Synonym
- Antracol 70 Synonym
- B 5078 Synonym
- Propineb Synonym
- Cypromate Synonym
- Antracol NM Synonym
- Propi Synonym
- Jiajidaisenxin Synonym
- Bingsenxin Synonym
- Antracol 70WP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 289.79 g/mol | CAS Common Chemistry |
| 289.79100000000005 g/mol | RDKit | |
| 289.791 g/mol | RDKit | |
| 293.785 g/mol | chempirical lib | |
| 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 |
| 1.0378 | RDKit | |
| Molar Refractivity | 61.90100000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 287.886174456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 289.79 g/mol. Edit any field — others recompute live.
