4-(furan-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

• ChemBase ID: 17800
• Molecular Formular: C11H11NOS
• Molecular Mass: 205.27614
• Monoisotopic Mass: 205.05613498
• SMILES: c12C(c3ccco3)NCCc1scc2
• Canonical SMILES: c1coc(c1)C1NCCc2c1ccs2
• InChI: InChI=1S/C11H11NOS/c1-2-9(13-6-1)11-8-4-7-14-10(8)3-5-12-11/h1-2,4,6-7,11-12H,3,5H2
• InChIKey: HQBCJPJCQGTFIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
• IUPAC Traditional name: 4-(furan-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
• Synonyms: 4-Furan-2-yl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

Database IDs

• MDL Number: MFCD07186557
• PubChem SID: 160981107
• PubChem CID: 3164622

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5812953
• LogD (pH = 7.4): 2.094952
• Log P: 2.3288515
• Molar Refractivity: 56.2896 cm^3
• Polarizability: 21.671736 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false