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144457-43-2

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Basic Information
CAS No.: 144457-43-2
Name: Thieno[2,3-c]pyridine-6(5H)-acetic acid, -(2-chlorophenyl)-4,7-dihydro-, methyl ester
Article Data: 1
Molecular Structure:
Molecular Structure of 144457-43-2 (Thieno[2,3-c]pyridine-6(5H)-acetic acid, -(2-chlorophenyl)-4,7-dihydro-, methyl ester)
Formula: C16H16ClNO2S
Molecular Weight: 321.828
Synonyms: Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;
Density: 1.317 g/cm3
Boiling Point: 423.7 °C at 760 mmHg
Flash Point: 210 °C
PSA: 57.78000
LogP: 3.61180
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Specification

The Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate, with the CAS registry number 144457-43-2, is also known as Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester. This chemical's molecular formula is C16H16ClNO2S and molecular weight is 321.8217. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate.

Physical properties about Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.23; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 57.78 Å2; (9)Index of Refraction: 1.617; (10)Molar Refractivity: 85.48 cm3; (11)Molar Volume: 244.3 cm3; (12)Surface Tension: 52.7 dyne/cm; (13)Density: 1.317 g/cm3; (14)Flash Point: 210 °C; (15)Enthalpy of Vaporization: 67.81 kJ/mol; (16)Boiling Point: 423.7 °C at 760 mmHg; (17)Vapour Pressure: 2.19E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C(c1ccccc1Cl)N2CCc3ccsc3C2
(2) InChI: InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18/h2-5,7,9,15H,6,8,10H2,1H3
(3) InChIKey: ZEIGZKQSYIWMTR-UHFFFAOYAT