DIETHYL 3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2,5-DICARBOXYLATE

This chemical is called Thieno[2,3-b]thiophene-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester, and its IUPAC name is Diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate. With the molecular formula of C₁₄H₁₆O₄S₂, its molecular weight is 312.40. The CAS registry number of this chemical is 152487-69-9.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 7.25; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 109.08 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 83.32 cm³; (9)Molar Volume: 243.8 cm³; (10)Polarizability: 33.03×10^-24cm³; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.281 g/cm³; (13)Flash Point: 209.2 °C; (14)Enthalpy of Vaporization: 67.64 kJ/mol; (15)Boiling Point: 422.2 °C at 760 mmHg; (16)Vapour Pressure: 2.45E-07 mmHg at 25°C.

Production method of this chemical: The Thieno[2,3-b]thiophene-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester could be obtained by the reactant of Mercaptoacetic acid ethyl ester and 4-Acetyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid ethyl ester. This reaction needs the reagent of K₂CO₃, and the solvent of Ethanol. The yield is 73 %. In addition, this reaction should be taken for 6 hours at heated condition.



Uses of this chemical: The Thieno[2,3-b]thiophene-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester could obtain the 3,4-Dimethylthieno[2,3-b]thiophen-2,5-dicarbohydrazide. This reaction needs the reagent of NH₂NH₂*H₂O. The yield is 96 %. In addition, this reaction should be taken for 3 hours.



You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1sc2sc(C(=O)OCC)c(c2c1C)C
2.InChI: InChI=1/C14H16O4S2/c1-5-17-12(15)10-7(3)9-8(4)11(13(16)18-6-2)20-14(9)19-10/h5-6H2,1-4H3
3.InChIKey: YAXDOYDXLOMMIU-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C14H16O4S2/c1-5-17-12(15)10-7(3)9-8(4)11(13(16)18-6-2)20-14(9)19-10/h5-6H2,1-4H3
5.Std. InChIKey: YAXDOYDXLOMMIU-UHFFFAOYSA-N