(1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YL)ACETIC ACID

The 3-Thiopheneacetic acid,2,3-dihydro-, 1,1-dioxide is an organic compound with the formula C₆H₈O₄S. The systematic name of this chemical is (1,1-Dioxido-2,3-dihydrothiophen-3-yl)acetic acid. With the CAS registry number 17236-25-8, it is also named as 2-(1,1-Dioxo-3-2,3-dihydrothienyl)acetic acid. Besides, its molecular weight is 176.1903.

Physical properties about 3-Thiopheneacetic acid,2,3-dihydro-, 1,1-dioxide are: (1)ACD/LogP: -0.89; (2)ACD/LogD (pH 5.5): -2.33; (3)ACD/LogD (pH 7.4): -4.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 68.82 Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 38.13 cm³; (14)Molar Volume: 120.7 cm³; (15)Polarizability: 15.11×10^-24 cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.458 g/cm³; (18)Flash Point: 246.6 °C; (19)Enthalpy of Vaporization: 82.07 kJ/mol; (20)Boiling Point: 484.1 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-10 mmHg at 25 °C.

Uses of 3-Thiopheneacetic acid,2,3-dihydro-, 1,1-dioxide: it can be used to produce Lactone of 1,1-dioxo-trans-2-chloro-cis-3-hydroxythiolan-4-ylacetic acid. It will need reagents 1N-NaOH; Cl₂ and solvent H₂O. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H8O4S/c7-6(8)3-5-1-2-11(9,10)4-5/h1-2,5H,3-4H2,(H,7,8)
(2)InChIKey: SLMDSFRWWIKZCT-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C6H8O4S/c7-6(8)3-5-1-2-11(9,10)4-5/h1-2,5H,3-4H2,(H,7,8)
(4)Std. InChIKey: SLMDSFRWWIKZCT-UHFFFAOYSA-N