6-Benzylsulfanyl-7-Ethyl-Purine
[CAS# 21186-49-2]

Identification

• Name: 6-Benzylsulfanyl-7-Ethyl-Purine
• Synonyms: 7-Ethyl-6-(Phenylmethylthio)Purine; 6-(Benzylthio)-7-Ethyl-Purine; Nsc57002
• Molecular Formula: C₁₄H₁₄N₄S
• Molecular Weight: 270.35
• CAS Registry Number: 21186-49-2
• SMILES: C3=CC=C(CSC1=NC=NC2=C1[N](C=N2)CC)C=C3
• InChI: 1S/C14H14N4S/c1-2-18-10-17-13-12(18)14(16-9-15-13)19-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
• InChIKey: JREBKYPDLOIPEU-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 462.811°C at 760 mmHg (Cal.)
• Flash point: 233.7°C (Cal.)