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

• ChemBase ID: 87266
• Molecular Formular: C10H15BO2S
• Molecular Mass: 210.1009
• Monoisotopic Mass: 210.08858112
• SMILES: B1(c2cscc2)OC(C)(C)C(O1)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cscc1
• InChI: InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-5-6-14-7-8/h5-7H,1-4H3
• InChIKey: HQXQOBAEDQBINI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-(thiophen-3-yl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(thiophen-3-yl)-1,3,2-dioxaborolane
• Synonyms: 4,4,5,5-Tetramethyl-2-(thien-3-yl)-1,3,2-dioxaborolane; Thiophene-3-boronic acid, pinacol ester; THIOPHENE-3-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 214360-70-0
• PubChem SID: 162074377
• PubChem CID: 2760597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5698
• LogD (pH = 7.4): 3.5698
• Log P: 3.5698
• Molar Refractivity: 52.8189 cm^3
• Polarizability: 22.666147 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%