2-(4-chlorophenyl)-5-phenyl-1,3-thiazol-4-ol

• ChemBase ID: 43353
• Molecular Formular: C15H10ClNOS
• Molecular Mass: 287.764
• Monoisotopic Mass: 287.01716263
• SMILES: n1c(c(sc1c1ccc(cc1)Cl)c1ccccc1)O
• Canonical SMILES: Clc1ccc(cc1)c1nc(c(s1)c1ccccc1)O
• InChI: InChI=1S/C15H10ClNOS/c16-12-8-6-11(7-9-12)15-17-14(18)13(19-15)10-4-2-1-3-5-10/h1-9,18H
• InChIKey: WDDKDLCXHLBIGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-5-phenyl-1,3-thiazol-4-ol
• IUPAC Traditional name: 2-(4-chlorophenyl)-5-phenyl-1,3-thiazol-4-ol
• Synonyms: 2-(4-Chlorophenyl)-5-phenyl-1,3-thiazol-4-ol; 2-(4-Chlorophenyl)-4-hydroxy-5-phenyl-1,3-thiazole; 2-(4-Chlorophenyl)-5-phenyl-1,3-thiazol-4-ol

Database IDs

• CAS Number: 65752-50-3
• MDL Number: MFCD08444002
• PubChem SID: 162048116
• PubChem CID: 12395143

CALCULATED PROPERTIES

• Acid pKa: 9.966538
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.1956625
• LogD (pH = 7.4): 5.1945333
• Log P: 5.1956773
• Molar Refractivity: 88.3875 cm^3
• Polarizability: 31.806986 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 252 - 254 °C; 252-254°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%