diphenyl-1,3-thiazol-4-ol

• ChemBase ID: 43180
• Molecular Formular: C15H11NOS
• Molecular Mass: 253.31894
• Monoisotopic Mass: 253.05613498
• SMILES: n1c(c(sc1c1ccccc1)c1ccccc1)O
• Canonical SMILES: Oc1nc(sc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H11NOS/c17-14-13(11-7-3-1-4-8-11)18-15(16-14)12-9-5-2-6-10-12/h1-10,17H
• InChIKey: HICCJUZMDNQOMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1,3-thiazol-4-ol
• IUPAC Traditional name: diphenyl-1,3-thiazol-4-ol
• Synonyms: 2,5-Diphenyl-1,3-thiazol-4-ol; 2,5-Diphenyl-4-hydroxy-1,3-thiazole; 2,5-Diphenyl-1,3-thiazol-4-ol

Database IDs

• CAS Number: 59484-42-3
• MDL Number: MFCD00895725
• PubChem SID: 162047943
• PubChem CID: 323817

CALCULATED PROPERTIES

• Acid pKa: 9.966406
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.5916176
• LogD (pH = 7.4): 4.590488
• Log P: 4.5916324
• Molar Refractivity: 83.5827 cm^3
• Polarizability: 29.994179 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212 °C; 210-212°C

Safety Information

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

Product Information

• Purity: >95%