9-Benzyl-6-Methylsulfanyl-Purin-2-Amine
[CAS# 51112-65-3]

Identification

• Name: 9-Benzyl-6-Methylsulfanyl-Purin-2-Amine
• Synonyms: 6-(Methylthio)-9-(Phenylmethyl)-2-Purinamine; [9-(Benzyl)-6-(Methylthio)Purin-2-Yl]Amine; Nsc42380
• Molecular Formula: C₁₃H₁₃N₅S
• Molecular Weight: 271.34
• CAS Registry Number: 51112-65-3
• SMILES: C2=NC1=C(N=C(N)N=C1SC)[N]2CC3=CC=CC=C3
• InChI: 1S/C13H13N5S/c1-19-12-10-11(16-13(14)17-12)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)
• InChIKey: YDUZAMOWVCAJTJ-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 569.75°C at 760 mmHg (Cal.)
• Flash point: 298.374°C (Cal.)