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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 Weight:
474.1580000000002 g/mol
Names and Synonyms:
Zinc Dibutyldithiocarbamate
Nocceler BZ-S
ZDBC 75
BZ 75
T 353
Rhexon ZDBC 75
ZDBC 50
BZ-P
ZDBC 80
T 202 (antioxidant)
T 202
BZ
ZDBC
Rhenogran ZDBC 80
Antioxidant BZ
Accelerator BZ
Rhenogran ZDBC 75
Rhenogran ZBDC 80
Vulcafor ZDBC
NSC 3880
NSC 36548
Zinc di-n-butylthiocarbamate
Nocceler BZ-G
Nocceler BZ-P
Perkacit ZDBC
Sanceler BZ
Vulkacit LDS
ZnBDC
Nocceler BZ
Accel BZ
Zinc bis(N,N-dibutyldithiocarbamate)
Vulkacit LDB
Butyl ziram
Bis(N,N-dibutyldithiocarbamato)zinc
Carbamodithioic acid, dibutyl-, zinc salt
Zinc bis(dibutyldithiocarbamate)
Bis(dibutyldithiocarbamato)zinc
(Dibutyldithiocarbamato)zinc(II)
Soxinol BZ
Zinc N,N-dibutyldithiocarbamate
Zinc dibutyldithiocarbamate
Vulcacure ZB
Dibutyldithiocarbamic acid zinc salt
Butyl zimate
Butazate 50D
Butazate
Aceto ZDBD
(T-4)-Bis(dibutylcarbamodithioato-κS,κS′)zinc
Carbamodithioic acid, dibutyl-, zinc complex
Zinc, bis(dibutylcarbamodithioato-S,S′)-, (T-4)-
Zinc, bis(dibutyldithiocarbamato)-
Zinc, bis(dibutylcarbamodithioato-κS,κS′)-, (T-4)-
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 474.1580000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 472.105275352 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 12 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.438300000000006 | RDKit |
| molecular_mass | 474.16 g/mol | Legacy Database |
| density | 1.24 g/cm³ | Legacy Database |
| cas-canonical-smile | [S]1=C([S-][Zn+2]12[S]=C([S-]2)N(CCCC)CCCC)N(CCCC)CCCC None | Legacy Database |
| cas-density | 1.24 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=BOXSVZNGTQTENJ-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 104-108 °C None | Legacy Database |
| cas-name | Zinc dibutyldithiocarbamate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 122.70400000000006 | RDKit |
