8-[(2-Piperidinoethyl)Thio]-3,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2-One
[CAS# 6493-46-5]

Identification

• Name: 8-[(2-Piperidinoethyl)Thio]-3,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2-One
• Synonyms: 1,3-Dimethyl-8-[2-(1-Piperidyl)Ethylsulfanyl]-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-[2-(1-Piperidyl)Ethylthio]-6-Thioxo-7H-Purin-2-One; 1,3-Dimethyl-8-(2-Piperidinoethylthio)-6-Thioxo-7H-Purin-2-One
• Molecular Formula: C₁₄H₂₁N₅OS₂
• Molecular Weight: 339.47
• CAS Registry Number: 6493-46-5
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=O)C)=S)[NH]2)CN3CCCCC3
• InChI: 1S/C14H21N5OS2/c1-17-11-10(12(21)18(2)14(17)20)15-13(16-11)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,15,16)
• InChIKey: KRNRCKVBLPHZPG-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 546.181°C at 760 mmHg (Cal.)
• Flash point: 284.121°C (Cal.)