Name: Zinc diisobutyldithiocarbamate
SKU: 36190-62-2

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Basic Information

Molecular Structure:
CAS No.:	36190-62-2
Name:	Zinc diisobutyldithiocarbamate

Formula:	Zn^.(C₉H₁₈NS₂)₂
Molecular Weight:	474.15
Synonyms:	Carbamodithioicacid, bis(2-methylpropyl)-, zinc salt;Carbamodithioic acid,bis(2-methylpropyl)-, zinc complex;Bis(diisobutyldithiocarbamato)zinc;Isobutyl Zimate;Zinc bis(N,N-diisobutyldithiocarbamate);Zinc bisisobutyldithiocarbamate;
Boiling Point:	247.1 °C at 760 mmHg
Flash Point:	103.2 °C
Appearance:	White colored powder
PSA:	70.66000
LogP:	4.86190

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Specification

The Zinc diisobutyldithiocarbamate, with the CAS registry number 36190-62-2, is also known as Zinc, bis(bis(2-methylpropyl)carbamodithioato-kappaS,kappaS')-, (T-4)-. This chemical's molecular formula is Zn^.(C₉H₁₈NS₂)₂ and formula weight is 474.15. What's more, its systematic name is called zinc bis[bis(2-methylpropyl)carbamodithioate]. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is white colored powder.

Physical properties of Zinc diisobutyldithiocarbamate: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 103.2 °C; (12)Enthalpy of Vaporization: 48.42 kJ/mol; (13)Boiling Point: 247.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0262 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[S-]C(=S)N(CC(C)C)CC(C)C.[S-]C(=S)N(CC(C)C)CC(C)C
(2)InChI: InChI=1/2C9H19NS2.Zn/c2*1-7(2)5-10(9(11)12)6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,11,12);/q;;+2/p-2
(3)InChIKey: GOQCSVOOQKFAKT-NUQVWONBAO