CAS No.59488-60-7,3-Amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59488-60-7
Name:	3-Amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
Article Data:	2

Formula:	C₉H₈N₂O₂S
Molecular Weight:	208.241
Synonyms:	3-Amino-6-methylthieno[2,3-β]pyridine-2-carboxylic acid;
Density:	1.516 g/cm³
Boiling Point:	440.2 °C at 760 mmHg
Flash Point:	220 °C
Safety:	24/25
PSA:	104.45000
LogP:	2.46630

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Specification

The systematic name of 3-Amino-6-methylthieno[2,3-β]pyridine-2-carboxylic acid is 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid. With the CAS registry number 59488-60-7, it is also named as Thieno[2,3-β]pyridine-2-carboxylicacid, 3-amino-6-methyl-. In addition, its molecular formula is C₉H₈N₂O₂S and molecular weight is 208.24.

The other characteristics of 3-Amino-6-methylthieno[2,3-β]pyridine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.62; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 70.67 Å²; (12)Index of Refraction: 1.76; (13)Molar Refractivity: 56.56 cm³; (14)Molar Volume: 137.3 cm³; (15)Polarizability: 22.42×10^-24cm³; (16)Surface Tension: 82.5 dyne/cm; (17)Density: 1.516 g/cm³; (18)Flash Point: 220 °C; (19)Enthalpy of Vaporization: 73.49 kJ/mol; (20)Boiling Point: 440.2 °C at 760 mmHg; (21)Vapour Pressure: 1.59E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c2sc1nc(ccc1c2N)C
(2)InChI: InChI=1/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)
(3)InChIKey: ZSZQAJUEIMYKCN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)
(5)Std. InChIKey: ZSZQAJUEIMYKCN-UHFFFAOYSA-N