6-[(2-Fluorophenyl)Methylsulfanyl]-9-(Oxolan-2-Yl)Purine
[CAS# 1648-22-2]

Identification

• Name: 6-[(2-Fluorophenyl)Methylsulfanyl]-9-(Oxolan-2-Yl)Purine
• Synonyms: 6-[(2-Fluorophenyl)Methylsulfanyl]-9-Tetrahydrofuran-2-Yl-Purine; 6-[(2-Fluorophenyl)Methylthio]-9-(2-Tetrahydrofuranyl)Purine; 6-[(2-Fluorobenzyl)Thio]-9-(Tetrahydrofuryl)Purine
• Molecular Formula: C₁₆H₁₅FN₄OS
• Molecular Weight: 330.38
• CAS Registry Number: 1648-22-2
• SMILES: C4=CC(=C(CSC1=NC=NC2=C1N=C[N]2C3OCCC3)C=C4)F
• InChI: 1S/C16H15FN4OS/c17-12-5-2-1-4-11(12)8-23-16-14-15(18-9-19-16)21(10-20-14)13-6-3-7-22-13/h1-2,4-5,9-10,13H,3,6-8H2
• InChIKey: JCKYWWSILHKNKC-UHFFFAOYSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 535.429°C at 760 mmHg (Cal.)
• Flash point: 277.618°C (Cal.)