The CAS register number of Benzene,2,4-dimethyl-1-(methylsulfonyl)- is 6462-28-8. It also can be called as (2,4-Dimethylphenyl) methyl sulfone and the systematic name about this chemical is 2,4-dimethyl-1-(methylsulfonyl)benzene. The molecular formula about this chemical is C9H12O2S and the molecular weight is 184.2554.
Physical properties about Benzene,2,4-dimethyl-1-(methylsulfonyl)- are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 7.07; (5)ACD/BCF (pH 7.4): 7.07; (6)ACD/KOC (pH 5.5): 141.11; (7)ACD/KOC (pH 7.4): 141.11; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 49.44 cm3; (13)Molar Volume: 163.7 cm3; (14)Polarizability: 19.6x10-24cm3; (15)Surface Tension: 35.5 dyne/cm; (16)Density: 1.125 g/cm3; (17)Flash Point: 183.2 °C; (18)Enthalpy of Vaporization: 54.75 kJ/mol; (19)Boiling Point: 327.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000378 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1C)C)C
(2)InChI: InChI=1/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3
(3)InChIKey: QTPNJZSUGOJDDN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3
(5)Std. InChIKey: QTPNJZSUGOJDDN-UHFFFAOYSA-N
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