Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]-

The Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]-, with the CAS registry number 94640-13-8, is also known as {[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid. This chemical's molecular formula is C₁₆H₁₄N₂O₃S and molecular weight is 314.36. What's more, its systematic name is [(3-Cyano-4-furan-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetic acid. 

Physical properties of Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 101.42 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 81.69 cm³; (15)Molar Volume: 221.5 cm³; (16)Polarizability: 32.38×10^-24 cm³; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 275.4 °C; (20)Enthalpy of Vaporization: 84.97 kJ/mol; (21)Boiling Point: 531.7 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-12 mmHg at 25°C.

Uses of Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]-: it can be used to produce 3-amino-4-furan-2-yl-5,6,7,8-tetrahydro-thieno[2,3-b]quinoline-2-carboxylic acid by heating. It will need reagent EtONa and solvent ethanol with the reaction time of 4.5 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CSc1nc3c(c(c1C#N)c2occc2)CCCC3
(2)InChI: InChI=1S/C16H14N2O3S/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20) 
(3)InChIKey: QTISFWVNCSCDDO-UHFFFAOYSA-N

The Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]-, with the CAS registry number 94640-13-8, is also known as {[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid. This chemical's molecular formula is C₁₆H₁₄N₂O₃S and molecular weight is 314.36. What's more, its systematic name is [(3-Cyano-4-furan-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetic acid. 

Physical properties of Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 101.42 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 81.69 cm³; (15)Molar Volume: 221.5 cm³; (16)Polarizability: 32.38×10^-24 cm³; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 275.4 °C; (20)Enthalpy of Vaporization: 84.97 kJ/mol; (21)Boiling Point: 531.7 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-12 mmHg at 25°C.

Uses of Acetic acid,2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio]-: it can be used to produce 3-amino-4-furan-2-yl-5,6,7,8-tetrahydro-thieno[2,3-b]quinoline-2-carboxylic acid by heating. It will need reagent EtONa and solvent ethanol with the reaction time of 4.5 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CSc1nc3c(c(c1C#N)c2occc2)CCCC3
(2)InChI: InChI=1S/C16H14N2O3S/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20) 
(3)InChIKey: QTISFWVNCSCDDO-UHFFFAOYSA-N