2-[(6-Amino-9H-Purin-8-Yl)Thio]-Butanoic Acid
[CAS# 436086-77-0]

Identification

• Name: 2-[(6-Amino-9H-Purin-8-Yl)Thio]-Butanoic Acid
• Synonyms: (2S)-2-[(6-Amino-7H-Purin-8-Yl)Thio]Butanoate; (2S)-2-[(6-Amino-7H-Purin-8-Yl)Thio]Butyrate; Zinc00281022
• Molecular Formula: C₉H₁₀N₅O₂S
• Molecular Weight: 252.27
• CAS Registry Number: 436086-77-0
• SMILES: [C@H](SC2=NC1=NC=NC(=C1[NH]2)N)(CC)C([O-])=O
• InChI: 1S/C9H11N5O2S/c1-2-4(8(15)16)17-9-13-5-6(10)11-3-12-7(5)14-9/h3-4H,2H2,1H3,(H,15,16)(H3,10,11,12,13,14)/p-1/t4-/m0/s1
• InChIKey: USXGXECUDHKQHW-BYPYZUCNSA-M

Properties

• Boiling point: 568.76°C at 760 mmHg (Cal.)
• Flash point: 297.776°C (Cal.)