CAS No.111042-90-1,METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111042-90-1
Name:	METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE
Article Data:	10

Formula:	C₉H₈N₂O₂S
Molecular Weight:	208.241
Synonyms:	3-Aminothieno[3,2-b]pyridine-2-carboxylicacid methyl ester;
Density:	1.422 g/cm³
Melting Point:	122 °C
Boiling Point:	377.553 °C at 760 mmHg
Flash Point:	182.138 °C
PSA:	93.45000
LogP:	2.24630

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Specification

The CAS register number of Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate is 111042-90-1. It also can be called as Thieno[3,2-b]pyridine-2-carboxylicacid, 3-amino-, methyl ester and the IUPAC name about this chemical is methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate. The molecular formula about this chemical is C₉H₈N₂O₂S and the molecular weight is 208.24. It belongs to the following product categories, such as Aminoacid; Chiral Chemicals and so on.

Physical properties about Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 532; (5)ACD/BCF (pH 7.4): 550; (6)ACD/KOC (pH 5.5): 3078; (7)ACD/KOC (pH 7.4): 3185; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 93.45Å²; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 56.58 cm³; (14)Molar Volume: 146.425 cm³; (15)Polarizability: 22.43x10^-24cm³; (16)Surface Tension: 67.11 dyne/cm; (17)Enthalpy of Vaporization: 62.534 kJ/mol; (18)Boiling Point: 377.553 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2sc1cccnc1c2N
(2)InChI: InChI=1/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3
(3)InChIKey: FFHLOZJKPAWEAX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3
(5)Std. InChIKey: FFHLOZJKPAWEAX-UHFFFAOYSA-N