6-[(3-Fluorophenyl)Methylsulfanyl]-7H-Purine
[CAS# 73972-54-0]

Identification

• Name: 6-[(3-Fluorophenyl)Methylsulfanyl]-7H-Purine
• Synonyms: 6-[(3-Fluorophenyl)Methylthio]-7H-Purine; 6-[(3-Fluorobenzyl)Thio]-7H-Purine; Iflab1_002325
• Molecular Formula: C₁₂H₉FN₄S
• Molecular Weight: 260.29
• CAS Registry Number: 73972-54-0
• SMILES: C1=NC3=C(C(=N1)SCC2=CC(=CC=C2)F)[NH]C=N3
• InChI: 1S/C12H9FN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)
• InChIKey: VBRFYTXQKPWMEZ-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 524.537°C at 760 mmHg (Cal.)
• Flash point: 271.031°C (Cal.)