[5-(thiophen-2-yl)furan-2-yl]boronic acid

• ChemBase ID: 810353
• Molecular Formular: C8H7BO3S
• Molecular Mass: 194.01538
• Monoisotopic Mass: 194.02089548
• SMILES: B(O)(O)c1oc(cc1)c1sccc1
• Canonical SMILES: OB(c1ccc(o1)c1cccs1)O
• InChI: InChI=1S/C8H7BO3S/c10-9(11)8-4-3-6(12-8)7-2-1-5-13-7/h1-5,10-11H
• InChIKey: SLFJJOGORBYJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(thiophen-2-yl)furan-2-yl]boronic acid
• IUPAC Traditional name: 5-(thiophen-2-yl)furan-2-ylboronic acid
• Synonyms: 5-(THIOPHEN-2-YL)FURAN-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.611558
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6273719
• LogD (pH = 7.4): 1.4231958
• Log P: 1.6307
• Molar Refractivity: 44.2738 cm^3
• Polarizability: 20.028048 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%