5-(Benzylsulfanyl)-4-bromo-2-phenyl-3(2H)-pyridazinone
[CAS# 97136-93-1]

Identification

• Name: 5-(Benzylsulfanyl)-4-bromo-2-phenyl-3(2H)-pyridazinone
• Synonyms: 5-(benzylthio)-4-bromo-2-phenylpyridazin-3(2H)-one; ZINC02577933
• Molecular Formula: C₁₇H₁₃BrN₂OS
• Molecular Weight: 373.27
• CAS Registry Number: 97136-93-1
• SMILES: Br\C3=C(/SCc1ccccc1)\C=N/N(c2ccccc2)C3=O
• InChI: 1S/C17H13BrN2OS/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
• InChIKey: VACGMGHLUBCNLK-UHFFFAOYSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 450.58°C at 760 mmHg (Cal.)
• Flash point: 226.303°C (Cal.)