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

• ChemBase ID: 248594
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c12c(scc1C)CCNC2
• Canonical SMILES: Cc1csc2c1CNCC2
• InChI: InChI=1S/C8H11NS/c1-6-5-10-8-2-3-9-4-7(6)8/h5,9H,2-4H2,1H3
• InChIKey: ZUZMVTSAPQEJGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20684303
• PubChem SID: 164304504
• PubChem CID: 18377318

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0891583
• LogD (pH = 7.4): 0.2928697
• Log P: 1.9977859
• Molar Refractivity: 44.6571 cm^3
• Polarizability: 16.970331 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.74

Product Information

• Purity: 95%