8-[[2-(1-Pyrrolidinyl)Ethyl]Thio]-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
[CAS# 6559-86-0]

Identification

• Name: 8-[[2-(1-Pyrrolidinyl)Ethyl]Thio]-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
• Synonyms: 1,3-Dimethyl-8-(2-Pyrrolidin-1-Ylethylsulfanyl)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(2-1-Pyrrolidinylethylthio)-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(2-Pyrrolidin-1-Ylethylthio)-6-Thioxo-7H-Purin-2-One
• Molecular Formula: C₁₃H₁₉N₅OS₂
• Molecular Weight: 325.45
• CAS Registry Number: 6559-86-0
• SMILES: C(SC1=NC2=C([NH]1)C(N(C)C(N2C)=O)=S)CN3CCCC3
• InChI: 1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
• InChIKey: KLAIFKHPSDRWRR-UHFFFAOYSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 536.966°C at 760 mmHg (Cal.)
• Flash point: 278.547°C (Cal.)