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

• ChemBase ID: 804845
• Molecular Formular: C10H16BNO3S
• Molecular Mass: 241.11494
• Monoisotopic Mass: 241.09439478
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)OC
• Canonical SMILES: COc1scc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H16BNO3S/c1-9(2)10(3,4)15-11(14-9)7-6-16-8(12-7)13-5/h6H,1-5H3
• InChIKey: IQKAMVPPWVBCAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6060996
• LogD (pH = 7.4): 3.6061
• Log P: 3.6061
• Molar Refractivity: 57.1715 cm^3
• Polarizability: 24.363672 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%