thieno[2,3-c]pyridine

• ChemBase ID: 64366
• Molecular Formular: C7H5NS
• Molecular Mass: 135.1863
• Monoisotopic Mass: 135.01427017
• SMILES: s1ccc2c1cncc2
• Canonical SMILES: c1ncc2c(c1)ccs2
• InChI: InChI=1S/C7H5NS/c1-3-8-5-7-6(1)2-4-9-7/h1-5H
• InChIKey: GDQBPBMIAFIRIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-c]pyridine
• IUPAC Traditional name: thieno(2,3-c)pyridine
• Synonyms: 6-Azabenzo[b]thiophene; Thieno[2,3-c]pyridine

Database IDs

• CAS Number: 272-12-8
• MDL Number: MFCD01760492
• PubChem SID: 162030105
• PubChem CID: 9224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.610804
• LogD (pH = 7.4): 1.6313286
• Log P: 1.6315982
• Molar Refractivity: 37.2412 cm^3
• Polarizability: 15.614534 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%