1,3,9-Trimethyl-8-Propan-2-Ylsulfanyl-Purine-2,6-Dione
[CAS# 6299-06-5]

Identification

• Name: 1,3,9-Trimethyl-8-Propan-2-Ylsulfanyl-Purine-2,6-Dione
• Synonyms: 8-Isopropylsulfanyl-1,3,9-Trimethyl-Purine-2,6-Dione; 8-(Isopropylthio)-1,3,9-Trimethylpurine-2,6-Dione; 8-(Isopropylthio)-1,3,9-Trimethyl-Xanthine
• Molecular Formula: C₁₁H₁₆N₄O₂S
• Molecular Weight: 268.33
• CAS Registry Number: 6299-06-5
• SMILES: CC(C)SC1=NC2=C([N]1C)N(C(=O)N(C2=O)C)C
• InChI: 1S/C11H16N4O2S/c1-6(2)18-10-12-7-8(13(10)3)14(4)11(17)15(5)9(7)16/h6H,1-5H3
• InChIKey: NNQPHJAJCALWFR-UHFFFAOYSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 441.921°C at 760 mmHg (Cal.)
• Flash point: 221.066°C (Cal.)