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

• ChemBase ID: 246817
• Molecular Formular: C10H16BNO2S
• Molecular Mass: 225.11554
• Monoisotopic Mass: 225.09948016
• SMILES: B1(c2sc(nc2)C)OC(C(O1)(C)C)(C)C
• Canonical SMILES: Cc1ncc(s1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H16BNO2S/c1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
• InChIKey: QXMZPGMBRRZCDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• Synonyms: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 2-METHYLTHIAZOLE-5-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1218791-01-5
• MDL Number: MFCD10697442
• PubChem SID: 164302727
• PubChem CID: 45785829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4577856
• LogD (pH = 7.4): 2.4579973
• Log P: 2.458
• Molar Refractivity: 54.5221 cm^3
• Polarizability: 23.562757 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.513

Product Information

• Purity: 95%; 98%