thieno[3,2-c]pyridine

• ChemBase ID: 69118
• Molecular Formular: C7H5NS
• Molecular Mass: 135.1863
• Monoisotopic Mass: 135.01427017
• SMILES: c1c2c(ccn1)scc2
• Canonical SMILES: c1ncc2c(c1)scc2
• InChI: InChI=1S/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H
• InChIKey: MKYRMMMSZSVIGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-c]pyridine
• IUPAC Traditional name: thieno(3,2-c)pyridine
• Synonyms: 5-Azathianaphthene; Thieno[3,2-c]pyridine

Database IDs

• CAS Number: 272-14-0
• MDL Number: MFCD01760493
• PubChem SID: 162034847
• PubChem CID: 67500

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6229091
• LogD (pH = 7.4): 1.6314875
• Log P: 1.6315982
• Molar Refractivity: 37.2412 cm^3
• Polarizability: 15.614563 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; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - T344320

An intermediate of Ticlopidine (T438325). Thieno[3,2-c]pyridine derivatives are used for treatment of inflammatory disorders.

REFERENCES

• Malicorne, G., et al.: Eur. J. Med. Chem., 26, 3 (1991)
• Wagner, G., et al.: Pharmazie, 48, 95 (1991)
• El-Abadelah, M., et al.: Eur. J. Med. Chem., 33, 33 (1991)