1,2-BIS(PHENYLTHIO)ETHANE

The Benzene,1,1'-[1,2-ethanediylbis(thio)]bis-, with the CAS registry number 622-20-8, is also known as 1,1'-(Ethane-1,2-diyldisulfanediyl)dibenzene. Its EINECS number is 210-723-5. This chemical's molecular formula is C₁₄H₁₄S₂ and molecular weight is 246.39. What's more, its IUPAC name is 2-phenylsulfanylethylsulfanylbenzene. When you are using this chemical, please be cautious about it. Do not breathe dust. What's more, you should avoid contact with skin and eyes. 

Physical properties of Benzene,1,1'-[1,2-ethanediylbis(thio)]bis- are: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3690.56; (6)ACD/BCF (pH 7.4): 3690.56; (7)ACD/KOC (pH 5.5): 12442.82; (8)ACD/KOC (pH 7.4): 12442.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 76.75 cm³; (15)Molar Volume: 211.3 cm³; (16)Polarizability: 30.42×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 60.06 kJ/mol; (21)Boiling Point: 377.3 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 5(2-chloro-ethyl)-phenyl sulfide at the temperature of 70°C. This reaction will need reagent sodium cyanide and solvent dimethylsulfoxide with the reaction time of 5 hours. The yield is about 98%.

Uses of Benzene,1,1'-[1,2-ethanediylbis(thio)]bis-: it can be used to produce 1,2-bis-benzenesulfonyl-ethane by heating. It will need reagents 30 percent aq. H₂O₂, glacial acetic acid. The reaction time is 1 hour.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)CCSc2ccccc2
(2)Std. InChI: InChI=1S/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)Std. InChIKey: MHCVYAFXPIMYRD-UHFFFAOYSA-N