2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3-thiazole

• ChemBase ID: 800743
• Molecular Formular: C10H16BNO2S
• Molecular Mass: 225.11554
• Monoisotopic Mass: 225.09948016
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1sccn1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1nccs1
• InChI: InChI=1S/C10H16BNO2S/c1-9(2)10(3,4)14-11(13-9)7-8-12-5-6-15-8/h5-6H,7H2,1-4H3
• InChIKey: LUIMBOPPUJPELD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3-thiazole
• IUPAC Traditional name: 2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3-thiazole
• Synonyms: 2-(THIAZOL-2-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5976162
• LogD (pH = 7.4): 2.598094
• Log P: 2.5981
• Molar Refractivity: 55.0835 cm^3
• Polarizability: 23.643711 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%