DIMETHYL-D6 SULFONE

The Methane-d₃,sulfonylbis- (9CI), with the CAS registry number of 22230-82-6, is also known as Methane-d₃, 1,1'-sulfonylbis-. This chemical's molecular formula is C₂D₆O₂S and molecular weight is 100.17. What's more, its systematic name is Bis[(²H₃)methyl] sulfone. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Methane-d₃,sulfonylbis- (9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.35; (5)ACD/KOC (pH 7.4): 5.35; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 42.52 Å²; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 20.11 cm³; (12)Molar Volume: 82.5 cm³; (13)Surface Tension: 31 dyne/cm; (14)Density: 1.212 g/cm³; (15)Flash Point: 132.7 °C; (16)Enthalpy of Vaporization: 45.85 kJ/mol; (17)Boiling Point: 240.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0573 mmHg at 25 °C.

Preparation: this chemical is prepared by Dimethylsulfane. The reaction needs reagents O₂, Methylene blue, <¹⁸O,²H₆>DMSO and solvent CD₃CN. The reaction time is 10 min. The yield is about 77.5 %.

Uses: it is used to produce other chemicals. For example, it is used to produce bis-Trideuteriomethyl-sulfane. This reaction needs reagent Ph₃P. Meanwhile, it needs solvent CCl₄. The yield is about 70 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])S(=O)(=O)C([2H])([2H])[2H]
(2) InChI: InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H3/i1D3,2D3
(3) InChIKey: HHVIBTZHLRERCL-WFGJKAKNET