ethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

• ChemBase ID: 310728
• Molecular Formular: C11H12N2O2S
• Molecular Mass: 236.29018
• Monoisotopic Mass: 236.06194863
• SMILES: c1(sc2c(c1N)ccc(n2)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1sc2c(c1N)ccc(n2)C
• InChI: InChI=1S/C11H12N2O2S/c1-3-15-11(14)9-8(12)7-5-4-6(2)13-10(7)16-9/h4-5H,3,12H2,1-2H3
• InChIKey: KRCQFLONSCMKHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
• Synonyms: ethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

Database IDs

• CAS Number: 52505-51-8
• MDL Number: MFCD00487046

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4441752
• LogD (pH = 7.4): 2.4442282
• Log P: 2.444229
• Molar Refractivity: 63.0437 cm^3
• Polarizability: 24.125446 Å^3
• Polar Surface Area: 65.21 Å^2