Nickel,bis[1,2-diphenyl-1,2-ethenedithiolato(2-)-kS1,kS2]-, (SP-4-1)- (28984-20-5)

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^-5 mmHg 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