The Ethanone,2,2'-thiobis[1-(4-bromophenyl)-, with the CAS registry number 58881-56-4, is also known as 1-(4-Bromophenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]thio}ethan-1-one. This chemical's molecular formula is C16H12Br2O2S and molecular weight is 428.14. What's more, its systematic name is 2,2'-sulfanediylbis[1-(4-bromophenyl)ethanone].
Physical properties of Ethanone,2,2'-thiobis[1-(4-bromophenyl)- are: (1)ACD/LogP: 5.51; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 59.44 Å2; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 93.89 cm3; (9)Molar Volume: 259.7 cm3; (10)Polarizability: 37.22×10-24cm3; (11)Surface Tension: 54.1 dyne/cm; (12)Density: 1.648 g/cm3; (13)Flash Point: 282.1 °C; (14)Enthalpy of Vaporization: 82.1 kJ/mol; (15)Boiling Point: 542.8 °C at 760 mmHg; (16)Vapour Pressure: 7.64E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)CSCC(=O)c2ccc(Br)cc2
(2)InChI: InChI=1S/C16H12Br2O2S/c17-13-5-1-11(2-6-13)15(19)9-21-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2
(3)InChIKey: PLCFAVVWPPSFIL-UHFFFAOYSA-N
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