(benzylsulfinyl)benzene

This chemical is called Benzylsulfinylbenzene, and it can also be named as Benzyl phenyl sulfoxide. With the molecular formula of C₁₃H₁₂OS, its molecular weight is 216.2988. The CAS registry number of this chemical is 833-82-9.

Other characteristics of the Benzylsulfinylbenzene can be summarised as followings: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 36.28 Ų; (7)Index of Refraction: 1.653; (8)Molar Refractivity: 64.96 cm³; (9)Molar Volume: 177.4 cm³; (10)Polarizability: 25.75×10^-24 cm³; (11)Surface Tension: 58.3 dyne/cm; (12)Density: 1.21 g/cm³; (13)Flash Point: 193.6 °C; (14)Enthalpy of Vaporization: 62.15 kJ/mol; (15)Boiling Point: 396.5 °C at 760 mmHg; (16)Vapour Pressure: 3.9E-06 mmHg at 25°C.

Production method of this chemical: The Benzylsulfinylbenzene could be obtained by the reactant of benzylsulfanyl-benzene. This reaction needs the reagents of PhIO and 3,5-disubstituted Cr(salen), and the solvent of CH₂Cl₂. The yield is 98 %. In addition, this reaction should be taken for 3 hours at the temperature of 20 °C.



Uses of this chemical: The phenylmethanesulfonyl-benzene could be obtained by the reactant of Benzylsulfinylbenzene. This reaction needs the reagents of tert-butyl hydroperoxide and Merck 10181 silica gel, and the solvent of CH₂Cl₂. The yield is 95 %. This reaction should be taken for 6 hours at the temperature of 25 °C.



You can still convert the following datas into molecular structure:
1.SMILES: O=S(c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
3.InChIKey: FBPGAWABXWMRAR-UHFFFAOYAW