8-Butylsulfanyl-3,7-Dihydropurine-2,6-Dione
[CAS# 73840-28-5]

Identification

• Name: 8-Butylsulfanyl-3,7-Dihydropurine-2,6-Dione
• Synonyms: 8-(Butylthio)-3,7-Dihydropurine-2,6-Dione; 8-(Butylthio)-7H-Xanthine; Xanthine, 8-(Butylthio)-
• Molecular Formula: C₉H₁₂N₄O₂S
• Molecular Weight: 240.28
• CAS Registry Number: 73840-28-5
• SMILES: C(SC2=NC1=C(C(NC(N1)=O)=O)[NH]2)CCC
• InChI: 1S/C9H12N4O2S/c1-2-3-4-16-9-10-5-6(12-9)11-8(15)13-7(5)14/h2-4H2,1H3,(H3,10,11,12,13,14,15)
• InChIKey: FHSDDYQZPCCDJS-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)