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

• ChemBase ID: 59511
• Molecular Formular: C10H16BNO3S
• Molecular Mass: 241.11494
• Monoisotopic Mass: 241.09439478
• SMILES: B1(c2sc(nc2)OC)OC(C(O1)(C)C)(C)C
• Canonical SMILES: COc1ncc(s1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H16BNO3S/c1-9(2)10(3,4)15-11(14-9)7-6-12-8(13-5)16-7/h6H,1-5H3
• InChIKey: NNPOTMMCXYMAPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• Synonyms: 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 2-(2-Methoxythiazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Methoxy-1,3-thiazole-5-boronic acid, pinacol ester; 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 2-METHOXYTHIAZOLE-5-BORONIC ACID PINACOL ESTER

Database IDs

• MDL Number: MFCD10688611
• PubChem SID: 162064274
• PubChem CID: 45785791

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8319998
• LogD (pH = 7.4): 2.832
• Log P: 2.832
• Molar Refractivity: 56.0179 cm^3
• Polarizability: 24.363546 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%