Name: BIS(DITHIOBENZIL) NICKEL
SKU: 28984-20-5

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Basic Information

Molecular Structure:
CAS No.:	28984-20-5
Name:	BIS(DITHIOBENZIL) NICKEL
Article Data:	15

Formula:	C₂₈H₂₂NiS₄
Molecular Weight:	543.421
Synonyms:	Nickel,bis[1,2-diphenyl-1,2-ethenedithiolato(2-)-S,S']-, (SP-4-1)-;Nickel,bis[1,2-diphenyl-1,2-ethenedithiolato(2-)-kS,kS']-, (SP-4-1)- (9CI);Nickel, bis[a,a'-stilbenedithiolato(2-)]- (7CI,8CI);1,2-Ethenedithiol, 1,2-diphenyl-,nickel complex;Bis(1,2-diphenyl-1,2-ethylenedithiolato)nickel;Bis(1,2-diphenylethane-1,2-dithiolato(2-)]nickel;Bis(1,2-diphenylethene-1,2-dithiolato)nickel;Bis(1,2-diphenylethylenedithiolato)nickel;Bis(diphenylethenedithiolato)nickel;Bis(dithiobenzil)nickel;Bis(dithiobenzil)nickel(II);Bis(stilbene-1,2-dithiolato)nickel;Dithiobenzilnickel(II);MIR 101;NKX 113;
EINECS:	249-353-4
Density:	1.44 g/cm3
Melting Point:	292～293℃
Boiling Point:	364.5 °C at 760 mmHg
Flash Point:	174.2 °C
PSA:	128.36000
LogP:	7.64560

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Specification

The Bis(dithiobenzil)nickel(II) with the cas number 28984-20-5 is also called Nickel,bis[1,2-diphenyl-1,2-ethenedithiolato(2-)-S,S']-, (SP-4-1)-. The systematic name is 1,2-diphenylethane-1,2-dithione - nickel (2:1). Its molecular formula is C₂₈H₂₂NiS₄. This chemical belongs to the following product categories: (1)Acceptors (Charge Transfer Complexes); (2)Charge Transfer Complexes for Organic Metals; (3)Classes of Metal Compounds; (4)Functional Materials; (5)Metal Dithiolenes; (6)Ni (Nickel) Compounds; (7)Transition Metal Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 436.35; (6)ACD/BCF (pH 7.4): 436.35; (7)ACD/KOC (pH 5.5): 2698.98; (8)ACD/KOC (pH 7.4): 2698.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.18 Å²; (13)Enthalpy of Vaporization: 58.67 kJ/mol; (14)Vapour Pressure: 3.52×10^-5mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ni].S=C(C(=S)c1ccccc1)c2ccccc2.S=C(c1ccccc1)C(=S)c2ccccc2
(2)InChI: InChI=1/2C14H10S2.Ni/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h2*1-10H;
(3)InChIKey: CPYFUJWIAABTQE-UHFFFAOYAG