5-bromo-2,4-diphenyl-1,3-thiazole

• ChemBase ID: 101257
• Molecular Formular: C15H10BrNS
• Molecular Mass: 316.2156
• Monoisotopic Mass: 314.97173233
• SMILES: n1c(sc(c1c1ccccc1)Br)c1ccccc1
• Canonical SMILES: Brc1sc(nc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H10BrNS/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10H
• InChIKey: KKDPGKYZSJFNLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-diphenyl-1,3-thiazole
• IUPAC Traditional name: 5-bromo-2,4-diphenyl-1,3-thiazole
• Synonyms: 5-bromo-2,4-diphenyl-1,3-thiazole

Database IDs

• CAS Number: 35342-50-8
• MDL Number: MFCD08060523
• PubChem SID: 162087517
• PubChem CID: 7537557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6246285
• LogD (pH = 7.4): 5.624633
• Log P: 5.6246333
• Molar Refractivity: 87.9149 cm^3
• Polarizability: 32.02049 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%