3,3'-Bithiophene

The IUPAC name of 3,3'-Bithiophene is 3-thiophen-3-ylthiophene. With the CAS registry number 3172-56-3, it is also named as 3-Thiophen-3-ylthiophene. The product's categories are Thiophenes; Pharmacetical. Besides, it is a solid, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₈H₆S₂ and molecular weight is 166.26.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 200.5; (6)ACD/BCF (pH 7.4): 200.5; (7)ACD/KOC (pH 5.5): 1546.87; (8)ACD/KOC (pH 7.4): 1546.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.48 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 18.87×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 50.9 °C; (20)Melting point: 132-135 °C; (21)Enthalpy of Vaporization: 41.6 kJ/mol; (22)Boiling Point: 197.6 °C at 760 mmHg; (23)Vapour Pressure: 0.53 mmHg at 25 °C.

Preparation of 3,3'-Bithiophene: this chemical can be prepared by 3-chloro-thiophene.



This reaction needs t-AmONa, Ni(OAc)₂, 2,2'-bipyridine and tetrahydrofuran at temperature of 25 °C for 18 s. The yield is 66 %.

Uses of 3,3'-Bithiophene: it can react with oxalyl dichloride to get 3,6-dithia-as-indacene-4,5-dione.



This reaction needs 1,2-dichloro-ethane by heating for 10 days. The yield is 68 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CSC=C1C2=CSC=C2
(2)InChI: InChI=1S/C8H6S2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H
(3)InChIKey: IAAQEGBHNXAHBF-UHFFFAOYSA-N