1,3-Dimethyl-8-(Piperidin-3-Ylmethylsulfanyl)-6-Sulfanylidene-7H-Purin-2-One
[CAS# 73908-83-5]

Identification

• Name: 1,3-Dimethyl-8-(Piperidin-3-Ylmethylsulfanyl)-6-Sulfanylidene-7H-Purin-2-One
• Synonyms: 1,3-Dimethyl-8-(3-Piperidylmethylsulfanyl)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(3-Piperidinylmethylthio)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(3-Piperidylmethylthio)-6-Thioxo-7H-Purin-2-One
• Molecular Formula: C₁₃H₁₉N₅OS₂
• Molecular Weight: 325.45
• CAS Registry Number: 73908-83-5
• SMILES: C(SC1=NC2=C([NH]1)C(N(C(N2C)=O)C)=S)C3CNCCC3
• InChI: 1S/C13H19N5OS2/c1-17-10-9(11(20)18(2)13(17)19)15-12(16-10)21-7-8-4-3-5-14-6-8/h8,14H,3-7H2,1-2H3,(H,15,16)
• InChIKey: WFZLNPGFBQQTPJ-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 550.204°C at 760 mmHg (Cal.)
• Flash point: 286.553°C (Cal.)