3,7-Dimethyl-8-Octylsulfanylpurine-2,6-Dione
[CAS# 74039-57-9]

Identification

• Name: 3,7-Dimethyl-8-Octylsulfanylpurine-2,6-Dione
• Synonyms: 3,7-Dimethyl-8-Octylsulfanyl-Purine-2,6-Dione; 3,7-Dimethyl-8-(Octylthio)Purine-2,6-Dione; 3,7-Dimethyl-8-(Octylthio)Xanthine
• Molecular Formula: C₁₅H₂₄N₄O₂S
• Molecular Weight: 324.44
• CAS Registry Number: 74039-57-9
• SMILES: C(SC2=NC1=C(C(NC(N1C)=O)=O)[N]2C)CCCCCCC
• InChI: 1S/C15H24N4O2S/c1-4-5-6-7-8-9-10-22-15-16-12-11(18(15)2)13(20)17-14(21)19(12)3/h4-10H2,1-3H3,(H,17,20,21)
• InChIKey: SAPOKSCJFHTFLH-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)