Ethanone,2-(methylsulfonyl)-1-phenyl- (3708-04-1)

The 2-(Methylsulfonyl)-1-phenylethanone, with CAS registry number of 3708-04-1, has the systematic name of 2-(methylsulfonyl)-1-phenylethanone. And its IUPAC name is the same one. Besides this, it is also named Ethanone, 2- (methylsulfonyl)-1-phenyl-.

Physical properties about this chemical are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.17; (8)ACD/KOC (pH 7.4): 33.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.59 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 49.57 cm³; (15)Molar Volume: 158.5 cm³; (16)Polarizability: 19.65×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Enthalpy of Vaporization: 65.88 kJ/mol; (19)Vapour Pressure: 7.8E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(c1ccccc1)CS(=O)(=O)C
(2)InChI: InChI=1/C9H10O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: CAUSPZIZBLGLKW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H10O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(5)Std. InChIKey: CAUSPZIZBLGLKW-UHFFFAOYSA-N

The toxicity data is as follows: