1,3,7-Trimethyl-8-(3-Methylbutylsulfanyl)Purine-2,6-Dione
[CAS# 73747-35-0]

Identification

• Name: 1,3,7-Trimethyl-8-(3-Methylbutylsulfanyl)Purine-2,6-Dione
• Synonyms: 8-Isopentylsulfanyl-1,3,7-Trimethyl-Purine-2,6-Dione; 8-(Isopentylthio)-1,3,7-Trimethylpurine-2,6-Dione; 8-(Isoamylthio)-1,3,7-Trimethyl-Xanthine
• Molecular Formula: C₁₃H₂₀N₄O₂S
• Molecular Weight: 296.39
• CAS Registry Number: 73747-35-0
• SMILES: C(SC1=NC2=C([N]1C)C(N(C(N2C)=O)C)=O)CC(C)C
• InChI: 1S/C13H20N4O2S/c1-8(2)6-7-20-12-14-10-9(15(12)3)11(18)17(5)13(19)16(10)4/h8H,6-7H2,1-5H3
• InChIKey: MGAOAMZOLCYPSY-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 467.181°C at 760 mmHg (Cal.)
• Flash point: 236.343°C (Cal.)