8-[(Sec-Butyl)Thio]-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
[CAS# 6493-40-9]

Identification

• Name: 8-[(Sec-Butyl)Thio]-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
• Synonyms: 1,3-Dimethyl-8-Sec-Butylsulfanyl-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(Sec-Butylthio)-6-Thioxo-7H-Purin-2-One; Nsc 95886
• Molecular Formula: C₁₁H₁₆N₄OS₂
• Molecular Weight: 284.39
• CAS Registry Number: 6493-40-9
• SMILES: C(C(SC2=NC1=C(C(N(C(N1C)=O)C)=S)[NH]2)C)C
• InChI: 1S/C11H16N4OS2/c1-5-6(2)18-10-12-7-8(13-10)14(3)11(16)15(4)9(7)17/h6H,5H2,1-4H3,(H,12,13)
• InChIKey: WYQCMHITOCFXFR-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 467.856°C at 760 mmHg (Cal.)
• Flash point: 236.751°C (Cal.)