1,3,6,7-Tetrahydro-1,3-Dimethyl-8-[(Tetrahydrofuran-2-Ylmethyl)Thio]-6-Thioxo-2H-Purin-2-One
[CAS# 6493-47-6]

Identification

• Name: 1,3,6,7-Tetrahydro-1,3-Dimethyl-8-[(Tetrahydrofuran-2-Ylmethyl)Thio]-6-Thioxo-2H-Purin-2-One
• Synonyms: 1,3-Dimethyl-8-(Tetrahydrofuran-2-Ylmethylsulfanyl)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(2-Tetrahydrofuranylmethylthio)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(Tetrahydrofurfurylthio)-6-Thioxo-7H-Purin-2-One
• Molecular Formula: C₁₂H₁₆N₄O₂S₂
• Molecular Weight: 312.40
• CAS Registry Number: 6493-47-6
• SMILES: C(SC1=NC2=C([NH]1)C(N(C)C(N2C)=O)=S)C3CCCO3
• InChI: 1S/C12H16N4O2S2/c1-15-9-8(10(19)16(2)12(15)17)13-11(14-9)20-6-7-4-3-5-18-7/h7H,3-6H2,1-2H3,(H,13,14)
• InChIKey: SXLIZCRHKYNSMR-UHFFFAOYSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 542.143°C at 760 mmHg (Cal.)
• Flash point: 281.678°C (Cal.)