THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID

The Thieno[3,2-b]thiophene-2-carboxylicacid is an organic compound with the formula C₇H₄O₂S₂. The systematic name of this chemical is Thieno[3,2-b]thiophene-2-carboxylic acid. With the CAS registry number 1723-27-9, it is also named as Thiopheno[3,2-b]thiophene-2-carboxylic acid. The product's categories are Carboxylic Acids; Thiophenes and Benzothiophenes; Carboxylic Acids; Fused Ring Systems; Thiophenes and Benzothiophenes. Besides, its molecular weight is 184.24.

Physical properties about Thieno[3,2-b]thiophene-2-carboxylicacid are: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 27.18; (5)ACD/BCF (pH 7.4): 2.57; (6)ACD/KOC (pH 5.5): 95.52; (7)ACD/KOC (pH 7.4): 9.04; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 82.78 Å²; (12)Index of Refraction: 1.769; (13)Molar Refractivity: 47.79 cm³; (14)Molar Volume: 115 cm³; (15)Polarizability: 18.94×10^-24 cm³; (16)Surface Tension: 75.9 dyne/cm; (17)Density: 1.601 g/cm³; (18)Flash Point: 187.6 °C; (19)Enthalpy of Vaporization: 67.04 kJ/mol; (20)Boiling Point: 386.7 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by Thieno[3,2-b]thiophene-2-carboxylic acid ethyl ester. This reaction will need reagent LiOH and solvent tetrahydrofuran. The reaction time is 3 hours. The yield is about 90%.

Uses of Thieno[3,2-b]thiophene-2-carboxylicacid: it can be used to produce Thieno[3,2-b]thiophene at temperature of 260 °C. It will need reagents Cu; quinoline with reaction time of 30 min. The yield is about 88%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
(2)InChIKey: GVZXSZWCZGKLRS-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
(4)Std. InChIKey: GVZXSZWCZGKLRS-UHFFFAOYSA-N