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Zinc Dibutyldithiocarbamate
CAS: 136-23-2 | C18H36N2S4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
136-23-2
Molecular Formula:
C18H36N2S4Zn
Molecular Mass:
474.16 g/mol
Names and Synonyms:
Zinc Dibutyldithiocarbamate
Zinc, bis(dibutylcarbamodithioato-κS,κS′)-, (T-4)-
Zinc, bis(dibutyldithiocarbamato)-
Zinc, bis(dibutylcarbamodithioato-S,S′)-, (T-4)-
Carbamodithioic acid, dibutyl-, zinc complex
(T-4)-Bis(dibutylcarbamodithioato-κS,κS′)zinc
Aceto ZDBD
Butazate
Butazate 50D
Butyl zimate
Dibutyldithiocarbamic acid zinc salt
Vulcacure ZB
Zinc dibutyldithiocarbamate
Zinc N,N-dibutyldithiocarbamate
Soxinol BZ
(Dibutyldithiocarbamato)zinc(II)
Bis(dibutyldithiocarbamato)zinc
Zinc bis(dibutyldithiocarbamate)
Carbamodithioic acid, dibutyl-, zinc salt
Bis(N,N-dibutyldithiocarbamato)zinc
Butyl ziram
Vulkacit LDB
Zinc bis(N,N-dibutyldithiocarbamate)
Accel BZ
Nocceler BZ
ZnBDC
Vulkacit LDS
Sanceler BZ
Perkacit ZDBC
Nocceler BZ-P
Nocceler BZ-G
Zinc di-n-butylthiocarbamate
NSC 36548
NSC 3880
Vulcafor ZDBC
Rhenogran ZBDC 80
Rhenogran ZDBC 75
Accelerator BZ
Antioxidant BZ
Rhenogran ZDBC 80
ZDBC
BZ
T 202
T 202 (antioxidant)
ZDBC 80
BZ-P
ZDBC 50
Rhexon ZDBC 75
T 353
BZ 75
ZDBC 75
Nocceler BZ-S
Identifiers:
SMILES:
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
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
Key Properties
Melting Point
104-108 °C
CAS Common Chemistry
Density
1.24 g/cm³
CAS Common Chemistry
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 | 474.16 g/mol | CAS Common Chemistry |
| 474.1580000000002 g/mol | RDKit | |
| 472.105275352 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.24 g/cm3 @ Temp: 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 |
| Molar Refractivity | 122.70400000000006 | RDKit |
