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Basic Information
CAS No.: 24237-43-2
Name: 6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Molecular Structure:
Molecular Structure of 24237-43-2 (6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER)
Formula: C12H16N2O3S
Molecular Weight: 268.337
Synonyms: 2-Amino-3-ethoxycarbonyl-6-acetyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;ethyl 6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;6-Acetyl-2-amino-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester;
Density: 1.31 g/cm3
Boiling Point: 517.8 °C at 760 mmHg
Flash Point: 267 °C
PSA: 100.87000
LogP: 1.93070
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Specification

The Thieno[2,3-c]pyridine-3-carboxylicacid, 6-acetyl-2-amino-4,5,6,7-tetrahydro-, ethyl ester, with the CAS registry number 24237-43-2, has the systematic name of ethyl 6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. It is also called 6-Acetyl-2-amino-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester. And the molecular formula of this chemical is C12H16N2O3S.

The physical properties of Thieno[2,3-c]pyridine-3-carboxylicacid, 6-acetyl-2-amino-4,5,6,7-tetrahydro-, ethyl ester are as following: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 78.09 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 70.22 cm3; (9)Molar Volume: 204.7 cm3; (10)Polarizability: 27.83×10-24cm3; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.31 g/cm3; (13)Flash Point: 267 °C; (14)Enthalpy of Vaporization: 79.02 kJ/mol; (15)Boiling Point: 517.8 °C at 760 mmHg; (16)Vapour Pressure: 7.94E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2CCc1c(sc(c1C(=O)OCC)N)C2)C
(2)InChI: InChI=1/C12H16N2O3S/c1-3-17-12(16)10-8-4-5-14(7(2)15)6-9(8)18-11(10)13/h3-6,13H2,1-2H3
(3)InChIKey: ZBZSPXFRUVXRKH-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 250mg/kg (250mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 272, 1970.