8-(Decylthio)-3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione
[CAS# 25837-26-7]

Identification

• Name: 8-(Decylthio)-3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione
• Synonyms: 8-Decylsulfanyl-1,3,7-Trimethyl-Purine-2,6-Dione; 8-(Decylthio)-1,3,7-Trimethylpurine-2,6-Dione; 8-(Decylthio)-1,3,7-Trimethyl-Xanthine
• Molecular Formula: C₁₈H₃₀N₄O₂S
• Molecular Weight: 366.52
• CAS Registry Number: 25837-26-7
• SMILES: C(C)CCCCCCCCSC1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C
• InChI: 1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-12-13-25-17-19-15-14(20(17)2)16(23)22(4)18(24)21(15)3/h5-13H2,1-4H3
• InChIKey: BVEBFAGNKHKOOC-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 524.289°C at 760 mmHg (Cal.)
• Flash point: 270.881°C (Cal.)