4H,5H,6H,7H-thieno[3,2-c]pyridine

• ChemBase ID: 115865
• Molecular Formular: C7H9NS
• Molecular Mass: 139.21806
• Monoisotopic Mass: 139.04557029
• SMILES: c12c(scc1)CCNC2
• Canonical SMILES: C1NCc2c(C1)scc2
• InChI: InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
• InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[3,2-c]pyridine
• IUPAC Traditional name: 4H,5H,6H,7H-thieno[3,2-c]pyridine
• Synonyms: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride; 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine

Database IDs

• CAS Number: 28783-41-7; 54903-50-3
• MDL Number: MFCD03839944; MFCD05861485
• PubChem SID: 162100851
• PubChem CID: 3085076

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5605778
• LogD (pH = 7.4): -0.0999507
• Log P: 1.4843645
• Molar Refractivity: 39.6159 cm^3
• Polarizability: 15.212792 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.586

Product Information

• Purity: 95+%
• Salt Data: HCl