2-Amino-1,7-Dihydro-7-(2-((2-Hydroxyethyl)Thio)Ethyl)-6H-Purin-6-One
[CAS# 5966-31-4]

Identification

• Name: 2-Amino-1,7-Dihydro-7-(2-((2-Hydroxyethyl)Thio)Ethyl)-6H-Purin-6-One
• Synonyms: 2-Amino-7-[2-(2-Hydroxyethylthio)Ethyl]-3H-Purin-6-One; 6H-Purin-6-One, 2-Amino-1,7-Dihydro-7-(2-((2-Hydroxyethyl)Thio)Ethyl)-; N7-(2-((2-Hydroxyethyl)Thio)Ethyl)Guanine
• Molecular Formula: C₉H₁₃N₅O₂S
• Molecular Weight: 255.29
• CAS Registry Number: 5966-31-4
• SMILES: C1=NC2=C([N]1CCSCCO)C(=O)N=C(N2)N
• InChI: 1S/C9H13N5O2S/c10-9-12-7-6(8(16)13-9)14(5-11-7)1-3-17-4-2-15/h5,15H,1-4H2,(H3,10,12,13,16)
• InChIKey: SQQNJJKNRHKMKW-UHFFFAOYSA-N

Properties

• Density: 1.687g/cm³ (Cal.)
• Boiling point: 630.499°C at 760 mmHg (Cal.)
• Flash point: 335.114°C (Cal.)