2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

• ChemBase ID: 59517
• Molecular Formular: C11H18BNO3S
• Molecular Mass: 255.14152
• Monoisotopic Mass: 255.11004484
• SMILES: c1(B2OC(C(O2)(C)C)(C)C)sc(nc1C)OC
• Canonical SMILES: COc1nc(c(s1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C11H18BNO3S/c1-7-8(17-9(13-7)14-6)12-15-10(2,3)11(4,5)16-12/h1-6H3
• InChIKey: YAAVBXCJRVCMDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• Synonyms: 2-Methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Database IDs

• MDL Number: MFCD18064655
• PubChem SID: 162064280
• PubChem CID: 51342235

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0026
• LogD (pH = 7.4): 3.0026
• Log P: 3.0026
• Molar Refractivity: 60.6094 cm^3
• Polarizability: 26.114214 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false