1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon

The 1-(3-Hydroxy-1-benzothien-2-yl)ethanone, with the CAS registry number 3260-92-2, is also known as Ethanone, 1-(3-hydroxybenzo[b]thien-2-yl)-. This chemical's molecular formula is C₁₀H₈O₂S and molecular weight is 192.02. What's more, its systematic name is the same as its product name.

Physical properties about 1-(3-Hydroxy-1-benzothien-2-yl)ethanone are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 796.55; (6)ACD/BCF (pH 7.4): 437.1; (7)ACD/KOC (pH 5.5): 4139.86; (8)ACD/KOC (pH 7.4): 2271.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 54.38 cm³; (15)Molar Volume: 142.9 cm³; (16)Surface Tension: 57.9 dyne/cm; (17)Density: 1.344 g/cm³; (18)Flash Point: 158.1 °C; (19)Enthalpy of Vaporization: 60.41 kJ/mol; (20)Boiling Point: 337.8 °C at 760 mmHg; (21)Vapour Pressure: 5.25E-05 mmHg at 25 °C.

Uses of 1-(3-Hydroxy-1-benzothien-2-yl)ethanone: it is used to produce other chemicals. For example, it can react with Oxalic acid dimethyl ester to get 2-Hydroxy-4-(3-hydroxy-benzo[b]thiophen-2-yl)-4-oxo-but-2-enoic acid methyl ester. The reaction occurs with reagents NaH, MeOH and other condition of heating for 4 hours. The yield is 46 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2sc1ccccc1c2O)C
(2) InChI: InChI=1S/C10H8O2S/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5,12H,1H3
(3) InChIKey: XQNRBPYRMAXIOB-UHFFFAOYSA-N