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

• ChemBase ID: 796888
• Molecular Formular: C10H14BClO2S
• Molecular Mass: 244.54596
• Monoisotopic Mass: 244.04960877
• SMILES: O1B(OC(C1(C)C)(C)C)c1sc(cc1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(s1)Cl
• InChI: InChI=1S/C10H14BClO2S/c1-9(2)10(3,4)14-11(13-9)7-5-6-8(12)15-7/h5-6H,1-4H3
• InChIKey: DDDRRTOIHWNUSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(5-Chlorothiophen-2-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 635305-24-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9368
• LogD (pH = 7.4): 3.9368
• Log P: 3.9368
• Molar Refractivity: 55.9435 cm^3
• Polarizability: 24.620764 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%