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

• ChemBase ID: 804196
• Molecular Formular: C10H16BNO2S
• Molecular Mass: 225.11554
• Monoisotopic Mass: 225.09948016
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)C
• Canonical SMILES: Cc1scc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H16BNO2S/c1-7-12-8(6-15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
• InChIKey: DRRASGOKAVZCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• Synonyms: 2-METHYLTHIAZOLE-4-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1310404-96-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2317061
• LogD (pH = 7.4): 3.232095
• Log P: 3.2321
• Molar Refractivity: 55.6757 cm^3
• Polarizability: 23.5633 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%