[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]methanol

• ChemBase ID: 795724
• Molecular Formular: C11H17BO3S
• Molecular Mass: 240.12688
• Monoisotopic Mass: 240.0991458
• SMILES: C(O)c1c(scc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: OCc1ccsc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)9-8(7-13)5-6-16-9/h5-6,13H,7H2,1-4H3
• InChIKey: LAGBITZYMDFUMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]methanol
• IUPAC Traditional name: [2-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]methanol
• Synonyms: (2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl)Methanol

Database IDs

• CAS Number: 1310384-43-0

CALCULATED PROPERTIES

• Acid pKa: 14.462216
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.659
• LogD (pH = 7.4): 2.659
• Log P: 2.659
• Molar Refractivity: 58.7947 cm^3
• Polarizability: 25.135143 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%