[methylenebis(thio)]bisbenzene (3561-67-9)

The Bis(phenylthio)methane with cas registry number of 3561-67-9, belongs to the following product categories: (1)Sulfur Compounds (for Synthesis); (2)Synthetic Organic Chemistry. It has the systematic name of 1,1'-(methanediyldisulfanediyl)dibenzene. Its chemical property is light yellow crystalline powder.

Physical properties about this chemical are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1883.59; (6)ACD/BCF (pH 7.4): 1883.59; (7)ACD/KOC (pH 5.5): 7688.33; (8)ACD/KOC (pH 7.4): 7688.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 72.12 cm³; (15)Molar Volume: 195 cm³; (16)Polarizability: 28.59×10^-24cm³; (17)Surface Tension: 51.4 dyne/cm; (18)Enthalpy of Vaporization: 57.85 kJ/mol; (19)Vapour Pressure: 5.81E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by formaldehyde and benzenethiol. This reaction will need reagent p-TsOH and solvent benzene. The reaction time is 10 hours.

Uses of p-Chloropropiophenone: it can be used to produce bis-benzenesulfonyl-methane. This reaction will need reagent CrO3 and glacial acetic acid.

When you are using this chemical, please be cautious about it as the following:
The Bis(phenylthio)methane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: S(c1ccccc1)CSc2ccccc2;
(2)InChI: InChI=1/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2;
(3)InChIKey: ZHUPZVIALZHGGP-UHFFFAOYAO;
(4)Std. InChI: InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2;
(5)Std. InChIKey: ZHUPZVIALZHGGP-UHFFFAOYSA-N