tert-butyldimethyl[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]silane

• ChemBase ID: 135678
• Molecular Formular: C16H29BO2SSi
• Molecular Mass: 324.36176
• Monoisotopic Mass: 324.1750581
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(s1)[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(s1)[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H29BO2SSi/c1-14(2,3)21(8,9)13-11-10-12(20-13)17-18-15(4,5)16(6,7)19-17/h10-11H,1-9H3
• InChIKey: MFZCBIXOSHMSCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]silane
• IUPAC Traditional name: tert-butyldimethyl[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]silane
• Synonyms: 2-[(2-tert-Butyldimethylsilyl)thienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(tert-Butyldimethylsilyl)thiophene-5-boronic acid pinacol ester; 2-[(2-叔丁基二甲基硅基)噻吩基]-4,4,5,5-四甲基-1,3,2-二氧杂硼烷; 2-(叔丁基二甲基硅基)噻吩-5-硼酸频哪醇酯

Database IDs

• MDL Number: MFCD10567054
• PubChem SID: 162229951
• PubChem CID: 46739073

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5147
• LogD (pH = 7.4): 5.5147
• Log P: 5.5147
• Molar Refractivity: 81.1555 cm^3
• Polarizability: 36.64491 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 65-71 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H29BO2SSi

DETAILS

Sigma Aldrich - 696269

Packaging
1, 5 g in glass bottle