(4-bromophenyl)(1,3-thiazol-2-yl)methanol

• ChemBase ID: 290389
• Molecular Formular: C10H8BrNOS
• Molecular Mass: 270.14562
• Monoisotopic Mass: 268.95099688
• SMILES: OC(c1ccc(Br)cc1)c1nccs1
• Canonical SMILES: Brc1ccc(cc1)C(c1nccs1)O
• InChI: InChI=1S/C10H8BrNOS/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-6,9,13H
• InChIKey: WJQRNBMHNPHGCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(1,3-thiazol-2-yl)methanol
• IUPAC Traditional name: (4-bromophenyl)(1,3-thiazol-2-yl)methanol
• Synonyms: (4-Bromophenyl)(thiazol-2-yl)methanol

Database IDs

• CAS Number: 356552-30-2
• PubChem SID: 180675920
• PubChem CID: 14949088

CALCULATED PROPERTIES

• Acid pKa: 12.501121
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6429627
• LogD (pH = 7.4): 2.643033
• Log P: 2.6430373
• Molar Refractivity: 59.39 cm^3
• Polarizability: 23.009958 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%