6-Benzylsulfanyl-9-Butyl-Purin-2-Amine
[CAS# 93017-04-0]

Identification

• Name: 6-Benzylsulfanyl-9-Butyl-Purin-2-Amine
• Synonyms: 9-Butyl-6-(Phenylmethylthio)-2-Purinamine; [6-(Benzylthio)-9-Butyl-Purin-2-Yl]Amine; Nsc42382
• Molecular Formula: C₁₆H₁₉N₅S
• Molecular Weight: 313.42
• CAS Registry Number: 93017-04-0
• SMILES: C2=NC1=C(N=C(N=C1[N]2CCCC)N)SCC3=CC=CC=C3
• InChI: 1S/C16H19N5S/c1-2-3-9-21-11-18-13-14(21)19-16(17)20-15(13)22-10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H2,17,19,20)
• InChIKey: UQWUVNYHYZKQDJ-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 561.697°C at 760 mmHg (Cal.)
• Flash point: 293.504°C (Cal.)