1,2,3,9-Tetrahydro-3-Methyl-2-Thioxo-6H-Purin-6-One
[CAS# 28139-02-8]

Identification

• Name: 1,2,3,9-Tetrahydro-3-Methyl-2-Thioxo-6H-Purin-6-One
• Synonyms: 3-Methyl-2-Thioxo-7H-Purin-6-One; 3-Methyl-2-Thioxanthine; Xanthine, 3-Methyl-2-Thio-
• Molecular Formula: C₆H₆N₄OS
• Molecular Weight: 182.20
• CAS Registry Number: 28139-02-8
• SMILES: C2=NC1=C(C(NC(=S)N1C)=O)[NH]2
• InChI: 1S/C6H6N4OS/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
• InChIKey: ULLBFNHCWKVCBA-UHFFFAOYSA-N

Properties

• Density: 1.665g/cm³ (Cal.)