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

• ChemBase ID: 167736
• Molecular Formular: C7H7NS
• Molecular Mass: 137.20218
• Monoisotopic Mass: 137.02992023
• SMILES: N1=Cc2c(CC1)scc2
• Canonical SMILES: C1N=Cc2c(C1)scc2
• InChI: InChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-5H,1,3H2
• InChIKey: NVWLCUBMMDJESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6H,7H-thieno[3,2-c]pyridine
• IUPAC Traditional name: 6H,7H-thieno[3,2-c]pyridine
• Synonyms: 6,7-Dihydro[3,2-c]thienopyridine; 6,7-Dihydrothieno[3,2-c]pyridine

Database IDs

• CAS Number: 107112-93-6
• PubChem SID: 162261869
• PubChem CID: 13586615

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7339552
• LogD (pH = 7.4): 1.8095217
• Log P: 1.8748556
• Molar Refractivity: 39.9057 cm^3
• Polarizability: 14.414015 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D449880

Used in the synthesis of thieno[3,2-a]quinolizidines and attempts to prepare Papaverine analogs.

REFERENCES

• Schmid, H., et al.: Helv. Chim. Acta, 32, 960 (1949)