2-(Thiophen-2-ylsulfanyl)-succinic acid

The 2-(Thiophen-2-ylsulfanyl)-succinic acid, with the CAS registry number 3807-43-0, is also known as 2-(2-Thienylsulfanyl)succinic acid. This chemical's molecular formula is C₈H₈O₄S₂ and molecular weight is 232.28. What's more, its systematic name is 2-(thiophen-2-ylsulfanyl)butanedioic acid. 

Physical properties of 2-(Thiophen-2-ylsulfanyl)-succinic acid are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -3.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 106.14 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 54.7 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 21.68×10^-24 cm³; (17)Surface Tension: 76.5 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 66.21 kJ/mol; (21)Boiling Point: 379.6 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3H-thiophene-2-thione and maleic acid at the temperature of 70-80 °C. This reaction will need solvent dioxane. The yield is about 92%.

Uses of 2-(Thiophen-2-ylsulfanyl)-succinic acid: it can be used to produce 2-(thiophen-2-ylsulfanyl)-succinic acid divinyl ester at the temperature of 30-35 °C. It will need reagents mercuric acetate, H₂SO₄ conc. with the reaction time of 24 hours. The yield is about 51%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)C(Sc1sccc1)CC(=O)O
(2)InChI: InChI=1/C8H8O4S2/c9-6(10)4-5(8(11)12)14-7-2-1-3-13-7/h1-3,5H,4H2,(H,9,10)(H,11,12)
(3)InChIKey: XJPYNLPDHCIDDI-UHFFFAOYAJ