CAS No.52505-46-1,ETHYL 3-AMINOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52505-46-1
Name:	ETHYL 3-AMINOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE
Article Data:	19

Formula:	C₁₀H₁₀N₂O₂S
Molecular Weight:	222.26
Synonyms:	3-Aminothieno[2,3-b]pyridine-2-carboxylicacid ethyl ester;Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;
Density:	1.364 g/cm³
Melting Point:	183 °C
Boiling Point:	386.034 °C at 760 mmHg
Flash Point:	187.267 °C
Hazard Symbols:	Xi
PSA:	93.45000
LogP:	2.63640

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Specification

The Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate, with the CAS registry number 52505-46-1, is also known as Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-, ethyl ester. It belongs to the product categories of Heterocycles series; Esters; Fused Ring Systems; Building Blocks; Thieno[x,x-y]pyridine. This chemical's molecular formula is C₁₀H₁₀N₂O₂S and molecular weight is 222.26. Its IUPAC name is called ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate. When you are using this chemical, please be cautious about, it may cause inflammation to the skin or other mucous membranes.

Physical properties of Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.117; (4)ACD/LogD (pH 7.4): 2.227; (5)ACD/BCF (pH 5.5): 22.528; (6)ACD/BCF (pH 7.4): 28.959; (7)ACD/KOC (pH 5.5): 300.915; (8)ACD/KOC (pH 7.4): 386.823; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 61.213 cm³; (14)Molar Volume: 162.932 cm³; (15)Surface Tension: 62.918 dyne/cm; (16)Density: 1.364 g/cm³; (17)Melting Point: 183 °C; (18)Flash Point: 187.267 °C; (19)Enthalpy of Vaporization: 63.492 kJ/mol; (20)Boiling Point: 386.034 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C2=C(S1)N=CC=C2)N
(2)InChI: InChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
(3)InChIKey: HNLWHNQYBCCNLL-UHFFFAOYSA-N