2-THIOPHEN-2-YL-INDOLE

The CAS register number of 1H-Indole,2-(2-thienyl)- is 55968-16-6. It also can be called as 2-(2-Thienyl)indole. The molecular formula about this chemical is C₁₂H₉NS and the molecular weight is 199.27.

Physical properties about 1H-Indole,2-(2-thienyl)- are: (1)ACD/LogP: 4.48; (2)ACD/LogD (pH 5.5): 4.48; (3)ACD/LogD (pH 7.4): 4.48; (4)ACD/BCF (pH 5.5): 1496.52; (5)ACD/BCF (pH 7.4): 1496.52; (6)ACD/KOC (pH 5.5): 6521.11; (7)ACD/KOC (pH 7.4): 6521.11; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.17 Å²; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 61.5 cm³; (14)Molar Volume: 156.6 cm³; (15)Polarizability: 24.38x10^-24cm³; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.272 g/cm³; (18)Flash Point: 190.3 °C; (19)Enthalpy of Vaporization: 61.86 kJ/mol; (20)Boiling Point: 393.8 °C at 760 mmHg; (21)Vapour Pressure: 4.72E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-thiophen-2-ylethynyl-phenylamine. This reaction is a kind of Cyclization. This reaction will need reagent of KH and solvent of 1-methyl-pyrrolidin-2-one. The reaction temperature is 20 °C. The yield is about 70%.

Uses of 1H-Indole,2-(2-thienyl)-: it can be used to produce 3-diazo-2-thiophen-2-yl-3H-indole. This reaction is a kind of Cyclization. This reaction will need reagents of aq. NaOH, tosyl azide and solvent of benzene. This reaction needs catalytic agent of TEBA. The reaction time is 18 hours with ambient temperature. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: s3c(c2nc1c(cccc1)c2)ccc3
(2)InChI: InChI=1/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
(3)InChIKey: YKSQPGLJCBOZNG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
(5)Std. InChIKey: YKSQPGLJCBOZNG-UHFFFAOYSA-N