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

• ChemBase ID: 804844
• Molecular Formular: C13H22BNO3S
• Molecular Mass: 283.19468
• Monoisotopic Mass: 283.14134497
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)OC(C)(C)C
• Canonical SMILES: CC(Oc1scc(n1)B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C13H22BNO3S/c1-11(2,3)16-10-15-9(8-19-10)14-17-12(4,5)13(6,7)18-14/h8H,1-7H3
• InChIKey: PLZOILVBKRPLJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4399
• LogD (pH = 7.4): 4.4399
• Log P: 4.4399
• Molar Refractivity: 70.9771 cm^3
• Polarizability: 29.865372 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%