1,3,7-Trimethyl-8-Nonylsulfanylpurine-2,6-Dione
[CAS# 73747-38-3]

Identification

• Name: 1,3,7-Trimethyl-8-Nonylsulfanylpurine-2,6-Dione
• Synonyms: 1,3,7-Trimethyl-8-Nonylsulfanyl-Purine-2,6-Dione; 1,3,7-Trimethyl-8-(Nonylthio)Purine-2,6-Dione; 1,3,7-Trimethyl-8-(Nonylthio)Xanthine
• Molecular Formula: C₁₇H₂₈N₄O₂S
• Molecular Weight: 352.49
• CAS Registry Number: 73747-38-3
• SMILES: C(SC1=NC2=C([N]1C)C(N(C(N2C)=O)C)=O)CCCCCCCC
• InChI: 1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-12-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-12H2,1-4H3
• InChIKey: SXZNHFFRABVGJZ-UHFFFAOYSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 513.855°C at 760 mmHg (Cal.)
• Flash point: 264.57°C (Cal.)