2-[4-(furan-2-yl)thiophen-3-yl]furan

• ChemBase ID: 86034
• Molecular Formular: C12H8O2S
• Molecular Mass: 216.25572
• Monoisotopic Mass: 216.0245005
• SMILES: s1cc(c2ccco2)c(c1)c1ccco1
• Canonical SMILES: s1cc(c(c1)c1ccco1)c1ccco1
• InChI: InChI=1S/C12H8O2S/c1-3-11(13-5-1)9-7-15-8-10(9)12-4-2-6-14-12/h1-8H
• InChIKey: IHDMPKLKNWGJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(furan-2-yl)thiophen-3-yl]furan
• IUPAC Traditional name: 2-[4-(furan-2-yl)thiophen-3-yl]furan
• Synonyms: 2-[4-(2-Furyl)-3-thienyl]furan

Database IDs

• CAS Number: 175205-71-7
• MDL Number: MFCD00052091
• PubChem SID: 162073150
• PubChem CID: 44119068

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1686318
• LogD (pH = 7.4): 3.1686318
• Log P: 3.1686318
• Molar Refractivity: 58.218 cm^3
• Polarizability: 24.653744 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true