thieno[3,2-b]pyridine-6-carbonitrile

• ChemBase ID: 238438
• Molecular Formular: C8H4N2S
• Molecular Mass: 160.19576
• Monoisotopic Mass: 160.00951914
• SMILES: n1c2c(scc2)cc(C#N)c1
• Canonical SMILES: N#Cc1cnc2c(c1)scc2
• InChI: InChI=1S/C8H4N2S/c9-4-6-3-8-7(10-5-6)1-2-11-8/h1-3,5H
• InChIKey: QYCIXUKZMDUDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridine-6-carbonitrile
• IUPAC Traditional name: thieno[3,2-b]pyridine-6-carbonitrile
• Synonyms: thieno[3,2-b]pyridine-6-carbonitrile

Database IDs

• MDL Number: MFCD11053768
• PubChem SID: 164294348
• PubChem CID: 13939472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8735441
• LogD (pH = 7.4): 1.8735447
• Log P: 1.8735447
• Molar Refractivity: 42.5908 cm^3
• Polarizability: 17.433533 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.638

Product Information

• Purity: 95%