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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
Common Name
Nocceler BZ-S
Synonym
ZDBC 75
Synonym
BZ 75
Synonym
T 353
Synonym
Rhexon ZDBC 75
Synonym
ZDBC 50
Synonym
BZ-P
Synonym
ZDBC 80
Synonym
T 202 (antioxidant)
Synonym
T 202
Synonym
BZ
Synonym
ZDBC
Synonym
Rhenogran ZDBC 80
Synonym
Antioxidant BZ
Synonym
Accelerator BZ
Synonym
Rhenogran ZDBC 75
Synonym
Rhenogran ZBDC 80
Synonym
Vulcafor ZDBC
Synonym
NSC 3880
Synonym
NSC 36548
Synonym
Zinc di-n-butylthiocarbamate
Synonym
Nocceler BZ-G
Synonym
Nocceler BZ-P
Synonym
Perkacit ZDBC
Synonym
Sanceler BZ
Synonym
Vulkacit LDS
Synonym
ZnBDC
Synonym
Nocceler BZ
Synonym
Accel BZ
Synonym
Zinc bis(N,N-dibutyldithiocarbamate)
Synonym
Vulkacit LDB
Synonym
Butyl ziram
Synonym
Bis(N,N-dibutyldithiocarbamato)zinc
Synonym
Carbamodithioic acid, dibutyl-, zinc salt
Synonym
Zinc bis(dibutyldithiocarbamate)
Synonym
Bis(dibutyldithiocarbamato)zinc
Synonym
(Dibutyldithiocarbamato)zinc(II)
Synonym
Soxinol BZ
Synonym
Zinc N,N-dibutyldithiocarbamate
Synonym
Zinc dibutyldithiocarbamate
Synonym
Vulcacure ZB
Synonym
Dibutyldithiocarbamic acid zinc salt
Synonym
Butyl zimate
Synonym
Butazate 50D
Synonym
Butazate
Synonym
Aceto ZDBD
Synonym
(T-4)-Bis(dibutylcarbamodithioato-κS,κS′)zinc
Synonym
Carbamodithioic acid, dibutyl-, zinc complex
Synonym
Zinc, bis(dibutylcarbamodithioato-S,S′)-, (T-4)-
Synonym
Zinc, bis(dibutyldithiocarbamato)-
Synonym
Zinc, bis(dibutylcarbamodithioato-κS,κS′)-, (T-4)-
Synonym
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 |