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

• ChemBase ID: 87265
• Molecular Formular: C10H15BO2S
• Molecular Mass: 210.1009
• Monoisotopic Mass: 210.08858112
• SMILES: s1c(ccc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccs1
• InChI: InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
• InChIKey: FFZHICFAHSDFKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 193978-23-3
• PubChem SID: 162074376
• PubChem CID: 10703628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4943
• LogD (pH = 7.4): 3.4943
• Log P: 3.4943
• Molar Refractivity: 51.9788 cm^3
• Polarizability: 22.664093 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under -20°C

Product Information

• Purity: 95+%; 98%