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

• ChemBase ID: 291278
• Molecular Formular: C10H14BBrO2S
• Molecular Mass: 288.99696
• Monoisotopic Mass: 287.99909309
• SMILES: CC1(C)C(C)(C)OB(c2cc(Br)cs2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1scc(c1)Br
• InChI: InChI=1S/C10H14BBrO2S/c1-9(2)10(3,4)14-11(13-9)8-5-7(12)6-15-8/h5-6H,1-4H3
• InChIKey: XOLVNUOSAPZSLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(4-bromothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(4-Bromothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 942070-06-6
• MDL Number: MFCD08063135
• PubChem SID: 180676809
• PubChem CID: 53398058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2861
• LogD (pH = 7.4): 4.2861
• Log P: 4.2861
• Molar Refractivity: 59.6016 cm^3
• Polarizability: 25.508823 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%