2,7-Dihydro-1,3-Dimethyl-8-(Pentylthio)-2-Thioxo-1H-Purin-6(3H)-One
[CAS# 4869-70-9]

Identification

• Name: 2,7-Dihydro-1,3-Dimethyl-8-(Pentylthio)-2-Thioxo-1H-Purin-6(3H)-One
• Synonyms: 1,3-Dimethyl-8-Pentylsulfanyl-2-Thioxo-7H-Purin-6-One; 1,3-Dimethyl-8-(Pentylthio)-2-Thioxo-7H-Purin-6-One; 8-(Amylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One
• Molecular Formula: C₁₂H₁₈N₄OS₂
• Molecular Weight: 298.42
• CAS Registry Number: 4869-70-9
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=S)C)=O)[NH]2)CCCC
• InChI: 1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)
• InChIKey: AYOOHXCZCYWXBB-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 489.144°C at 760 mmHg (Cal.)
• Flash point: 249.626°C (Cal.)