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

• ChemBase ID: 802039
• Molecular Formular: C9H13BClNO2S
• Molecular Mass: 245.53402
• Monoisotopic Mass: 245.04485774
• SMILES: CC1(C)OB(OC1(C)C)c1sc(nc1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnc(s1)Cl
• InChI: InChI=1S/C9H13BClNO2S/c1-8(2)9(3,4)14-10(13-8)6-5-12-7(11)15-6/h5H,1-4H3
• InChIKey: UAXMSLFTXSRLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 889672-72-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2747996
• LogD (pH = 7.4): 3.2748
• Log P: 3.2748
• Molar Refractivity: 55.1073 cm^3
• Polarizability: 23.845333 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%