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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 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.

External Resources

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

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