(+/-)-1.1'-BINAPHTHALENE-2,2'-DITHIOL

This chemical is called [1,1'-Binaphthalene]-2,2'-dithiol, and it can also be named as 1-(2-Sulfanylnaphthalen-1-yl)naphthalene-2-thiol. With the molecular formula of C₂₀H₁₄S₂, its molecular weight is 318.46. The CAS registry number of this chemical is 102555-71-5. 

Other characteristics of the [1,1'-Binaphthalene]-2,2'-dithiol can be summarised as followings: (1)ACD/LogP: 7.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.25; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 174438.75; (6)ACD/BCF (pH 7.4): 1256.45; (7)ACD/KOC (pH 5.5): 175422.13; (8)ACD/KOC (pH 7.4): 1263.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Ų; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 102.88 cm³; (15)Molar Volume: 248.1 cm³; (16)Polarizability: 40.78×10^-24 cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 230.1 °C; (20)Enthalpy of Vaporization: 73.35 kJ/mol; (21)Boiling Point: 495 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-09 mmHg at 25°C.

Production method of this chemical: The [1,1'-Binaphthalene]-2,2'-dithiol could be obtained by the reactant of 2,2'-Bis-(N,N-Dimethylcarbamoyl-thio)-1,1'-binaphtyl. This reaction needs the reagent of KOH, and the solvents of methanol and tetrahydrofuran. The yield is 92 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.



Uses of this chemical: The Dinaphtho[2,1-d:1',2'-g][1,4]dithiocine could be obtained by the reactants of cis-1,2-dichloro-ethene and [1,1'-Binaphthalene]-2,2'-dithiol. This reaction needs the reagent of Na, and the solvent of ethanol. The yield is 93 %. This reaction should be taken for 5 hours at the temperature of 78 °C.



You can still convert the following datas into molecular structure:
1.SMILES: Sc4ccc1c(cccc1)c4c2c3c(ccc2S)cccc3
2.InChI: InChI=1/C20H14S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
3.InChIKey: PQTIXYILPGIIHM-UHFFFAOYAZ