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

• ChemBase ID: 236417
• Molecular Formular: C7H9NS
• Molecular Mass: 139.21806
• Monoisotopic Mass: 139.04557029
• SMILES: c12c(ccs1)CCNC2
• Canonical SMILES: C1NCc2c(C1)ccs2
• InChI: InChI=1S/C7H9NS/c1-3-8-5-7-6(1)2-4-9-7/h2,4,8H,1,3,5H2
• InChIKey: HXNOEHIMWZDRTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08752872
• PubChem SID: 164292327
• PubChem CID: 12337025

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5463946
• LogD (pH = 7.4): -0.06389498
• Log P: 1.4843645
• Molar Refractivity: 39.5055 cm^3
• Polarizability: 15.211948 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.241

Product Information

• Purity: 95%