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The 3-Bromo-4-isobutoxybenzothioamide with the cas number 208665-96-7, is also called benzenecarbothioamide, 3-bromo-4-(2-methylpropoxy)-. The properties of the chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 67.34Å2; (5)Index of Refraction: 1.602; (6)Molar Refractivity: 70.669 cm3; (7)Molar Volume: 206.087 cm3; (8)Polarizability:28.015×10-24cm3 ; (9)Surface Tension: 49.663 dyne/cm; (10)Enthalpy of Vaporization: 61.772 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)COc1ccc(cc1Br)C(=S)N
(2)InChI: InChI=1/C11H14BrNOS/c1-7(2)6-14-10-4-3-8(11(13)15)5-9(10)12/h3-5,7H,6H2,1-2H3,(H2,13,15)
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