4,4,5,5-tetramethyl-2-[(thiophen-3-yl)methyl]-1,3,2-dioxaborolane

• ChemBase ID: 800756
• Molecular Formular: C11H17BO2S
• Molecular Mass: 224.12748
• Monoisotopic Mass: 224.10423118
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cscc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1cscc1
• InChI: InChI=1S/C11H17BO2S/c1-10(2)11(3,4)14-12(13-10)7-9-5-6-15-8-9/h5-6,8H,7H2,1-4H3
• InChIKey: UKMKCLDSWUHLDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-[(thiophen-3-yl)methyl]-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(thiophen-3-ylmethyl)-1,3,2-dioxaborolane
• Synonyms: 2-(THIOPHEN-3-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5255
• LogD (pH = 7.4): 3.5255
• Log P: 3.5255
• Molar Refractivity: 57.8199 cm^3
• Polarizability: 24.505465 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%