Boronic acid,B-(5-methylbenzo[b]thien-2-yl)- (136099-65-5)

The systematic name of 5-Methylbenzo[beta]thiophene-2-boronic acid is (5-Methyl-1-benzothiophen-2-yl)boronic acid. With the CAS registry number 136099-65-5, it is also named as Boronic acid,B-(5-methylbenzo[b]thien-2-yl)-. In addition, its molecular formula is C₉H₉BO₂S and its molecular weight is 192.04. 

The other characteristics of 5-Methylbenzo[beta]thiophene-2-boronic acid can be summarized as: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 908.92; (6)ACD/BCF (pH 7.4): 291.61; (7)ACD/KOC (pH 5.5): 4528.31; (8)ACD/KOC (pH 7.4): 1452.84; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.7 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 53.61 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 21.25×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 195.5 °C; (20)Melting Point: 100 °C; (21)Enthalpy of Vaporization: 68.58 kJ/mol; (22)Boiling Point: 399.6 °C at 760 mmHg; (23)Vapour Pressure: 4.21E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OB(O)c2sc1ccc(cc1c2)C
(2)InChI:InChI=1/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
(3)InChIKey:DHNHZPQPQAINDI-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
(5)Std. InChIKey:DHNHZPQPQAINDI-UHFFFAOYSA-N