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

• ChemBase ID: 80641
• Molecular Formular: C8H7BO2S2
• Molecular Mass: 210.08098
• Monoisotopic Mass: 209.99805186
• SMILES: s1c(ccc1c1cccs1)B(O)O
• Canonical SMILES: OB(c1ccc(s1)c1cccs1)O
• InChI: InChI=1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H
• InChIKey: PPHSULIZZOEBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(thiophen-2-yl)thiophen-2-yl]boronic acid
• IUPAC Traditional name: 5-(thiophen-2-yl)thiophen-2-ylboronic acid
• Synonyms: 5-Borono-2,2'-bithiophene; 2,2'-Bithiophene-5-boronic acid; 2,2'-bithiophen-5-ylboronic acid

Database IDs

• CAS Number: 132898-95-4
• MDL Number: MFCD03086112
• PubChem SID: 162067761
• PubChem CID: 2776423

CALCULATED PROPERTIES

• Acid pKa: 7.945607
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0779545
• LogD (pH = 7.4): 1.9711444
• Log P: 2.0795
• Molar Refractivity: 48.6794 cm^3
• Polarizability: 21.818941 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 98%