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Molecule
Zinc Dibutyldithiocarbamate
CAS: 136-23-2 · C18H36N2S4Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 136-23-2
- Molecular Formula
- C18H36N2S4Zn
- Molecular Mass
- 474.16 g/mol
Identifiers
CAS Registry Number
136-23-2
SMILES
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
InChI Key
BOXSVZNGTQTENJ-UHFFFAOYSA-L
InChI
InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
Names and Synonyms
- Zinc Dibutyldithiocarbamate Common Name
- Zinc, bis(dibutylcarbamodithioato-κS,κS′)-, (T-4)- Synonym
- Zinc, bis(dibutyldithiocarbamato)- Synonym
- Zinc, bis(dibutylcarbamodithioato-S,S′)-, (T-4)- Synonym
- Carbamodithioic acid, dibutyl-, zinc complex Synonym
- (T-4)-Bis(dibutylcarbamodithioato-κS,κS′)zinc Synonym
- Aceto ZDBD Synonym
- Butazate Synonym
- Butazate 50D Synonym
- Butyl zimate Synonym
- Dibutyldithiocarbamic acid zinc salt Synonym
- Vulcacure ZB Synonym
- Zinc dibutyldithiocarbamate Synonym
- Zinc N,N-dibutyldithiocarbamate Synonym
- Soxinol BZ Synonym
- (Dibutyldithiocarbamato)zinc(II) Synonym
- Bis(dibutyldithiocarbamato)zinc Synonym
- Zinc bis(dibutyldithiocarbamate) Synonym
- Carbamodithioic acid, dibutyl-, zinc salt Synonym
- Bis(N,N-dibutyldithiocarbamato)zinc Synonym
- Butyl ziram Synonym
- Vulkacit LDB Synonym
- Zinc bis(N,N-dibutyldithiocarbamate) Synonym
- Accel BZ Synonym
- Nocceler BZ Synonym
- ZnBDC Synonym
- Vulkacit LDS Synonym
- Sanceler BZ Synonym
- Perkacit ZDBC Synonym
- Nocceler BZ-P Synonym
- Nocceler BZ-G Synonym
- Zinc di-n-butylthiocarbamate Synonym
- NSC 36548 Synonym
- NSC 3880 Synonym
- Vulcafor ZDBC Synonym
- Rhenogran ZBDC 80 Synonym
- Rhenogran ZDBC 75 Synonym
- Accelerator BZ Synonym
- Antioxidant BZ Synonym
- Rhenogran ZDBC 80 Synonym
- ZDBC Synonym
- BZ Synonym
- T 202 Synonym
- T 202 (antioxidant) Synonym
- ZDBC 80 Synonym
- BZ-P Synonym
- ZDBC 50 Synonym
- Rhexon ZDBC 75 Synonym
- T 353 Synonym
- BZ 75 Synonym
- ZDBC 75 Synonym
- Nocceler BZ-S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.16 g/mol | CAS Common Chemistry |
| 474.1580000000002 g/mol | RDKit | |
| 474.158 g/mol | RDKit | |
| 478.152 g/mol | chempirical lib | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.24 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Zn+2]12[S]=C([S-]2)N(CCCC)CCCC)N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=BOXSVZNGTQTENJ-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 104-108 °C | CAS Common Chemistry |
| Name | Zinc dibutyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 5.438300000000006 | RDKit |
| 5.4383 | RDKit | |
| Molar Refractivity | 122.70400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 472.105275352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 474.16 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
