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

• ChemBase ID: 297812
• Molecular Formular: C16H26B2O4S
• Molecular Mass: 336.06224
• Monoisotopic Mass: 336.17379111
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(s1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(s1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H26B2O4S/c1-13(2)14(3,4)20-17(19-13)11-9-10-12(23-11)18-21-15(5,6)16(7,8)22-18/h9-10H,1-8H3
• InChIKey: AOJXAKMKFDBHHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
• Synonyms: 2,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene; Thiophene-2,5-diboronic acid bis(pinacol) ester; 噻吩-2,5-二硼酸二频哪醇酯

Database IDs

• CAS Number: 175361-81-6
• MDL Number: MFCD09800563
• PubChem SID: 180683343
• PubChem CID: 23058061

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2726
• LogD (pH = 7.4): 5.2726
• Log P: 5.2726
• Molar Refractivity: 80.7938 cm^3
• Polarizability: 36.35486 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 216-220°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%