CAS No.15317-78-9,Nickel diisobutyldithiocarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15317-78-9
Name:	Nickel diisobutyldithiocarbamate
Article Data:	5

Formula:	C₁₈H₃₆N₂NiS₄
Molecular Weight:	467.451
Synonyms:	Nickelbis(diisobutyldithiocarbamate);Nickel,bis(diisobutyldithiocarbamato)- (7CI,8CI);Nickel, bis[bis(2-methylpropyl)carbamodithioato-S,S']-,(SP-4-1)-;Nickel, bis[bis(2-methylpropyl)carbamodithioato-kS,kS']-, (SP-4-1)- (9CI);Carbamic acid,diisobutyldithio-, nickel complex;Carbamodithioic acid, bis(2-methylpropyl)-,nickel complex;Bis(diisobutyldithiocarbamato)nickel;
EINECS:	239-354-8
Density:	1.27 Mg/m3 at 25oC (77°F)
Melting Point:	173-181oC
Boiling Point:	247.1 °C at 760 mmHg
Flash Point:	103.2 °C
Appearance:	COA
PSA:	121.26000
LogP:	6.16560

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Specification

The Nickel, bis(N,N-bis(2-methylpropyl)carbamodithioato-kappaS,kappaS')-, (SP-4-1)-, with the CAS registry number 15317-78-9, is also known as Nickel diisobutyldithiocarbamate. It belongs to the product category of Organometallics. Its EINECS registry number is 239-354-8. This chemical's molecular formula is C₁₈H₃₆N₂NiS₄ and molecular weight is 467.44524. Its IUPAC name is called N,N-bis(2-methylpropyl)carbamodithioate; nickel(2+).

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CN(CC(C)C)C(=S)[S-].CC(C)CN(CC(C)C)C(=S)[S-].[Ni+2]
(2)InChI: InChI=1S/2C9H19NS2.Ni/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: YCBUXHNUQAZVSS-UHFFFAOYSA-L