2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine

• ChemBase ID: 262577
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c12c(scc2)CCN(C1)CCN
• Canonical SMILES: NCCN1CCc2c(C1)ccs2
• InChI: InChI=1S/C9H14N2S/c10-3-5-11-4-1-9-8(7-11)2-6-12-9/h2,6H,1,3-5,7,10H2
• InChIKey: ACEUGCSSOOSCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
• IUPAC Traditional name: 2-{4H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethanamine
• Synonyms: 2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine

Database IDs

• MDL Number: MFCD09949283
• PubChem SID: 164318487
• PubChem CID: 24709583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6470642
• LogD (pH = 7.4): -0.9212241
• Log P: 1.0704286
• Molar Refractivity: 52.8604 cm^3
• Polarizability: 20.423464 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.189

Product Information

• Purity: 95%