1-{thieno[3,2-b]pyridin-6-yl}ethan-1-amine

• ChemBase ID: 278799
• Molecular Formular: C9H10N2S
• Molecular Mass: 178.2541
• Monoisotopic Mass: 178.05646933
• SMILES: CC(N)c1cnc2ccsc2c1
• Canonical SMILES: CC(c1cnc2c(c1)scc2)N
• InChI: InChI=1S/C9H10N2S/c1-6(10)7-4-9-8(11-5-7)2-3-12-9/h2-6H,10H2,1H3
• InChIKey: LEGSILFBZBBZMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{thieno[3,2-b]pyridin-6-yl}ethan-1-amine
• IUPAC Traditional name: 1-{thieno[3,2-b]pyridin-6-yl}ethanamine
• Synonyms: 1-thieno[3,2-b]pyridin-6-ylethanamine

Database IDs

• MDL Number: MFCD19982631
• PubChem SID: 164334709
• PubChem CID: 54594998

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4011163
• LogD (pH = 7.4): -0.29179695
• Log P: 1.5597919
• Molar Refractivity: 49.7614 cm^3
• Polarizability: 20.824406 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.292

Product Information

• Purity: 95%