2-tert-butyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

• ChemBase ID: 804203
• Molecular Formular: C13H22BNO2S
• Molecular Mass: 267.19528
• Monoisotopic Mass: 267.14643035
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1csc(n1)C(C)(C)C
• InChI: InChI=1S/C13H22BNO2S/c1-11(2,3)10-15-9(8-18-10)14-16-12(4,5)13(6,7)17-14/h8H,1-7H3
• InChIKey: TWVFBBXMAGJEJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-tert-butyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• Synonyms: 2-(TERT-BUTYL)THIAZOLE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0876136
• LogD (pH = 7.4): 5.0877976
• Log P: 5.0878
• Molar Refractivity: 69.3781 cm^3
• Polarizability: 29.076855 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%