2-(2-Amino-9-Propyl-Purin-6-Yl)Sulfanylacetic Acid
[CAS# 42204-31-9]

Identification

• Name: 2-(2-Amino-9-Propyl-Purin-6-Yl)Sulfanylacetic Acid
• Synonyms: 2-(2-Amino-9-Propyl-Purin-6-Yl)Sulfanylacetic Acid; 2-[(2-Amino-9-Propyl-6-Purinyl)Thio]Acetic Acid; 2-[(2-Amino-9-Propyl-Purin-6-Yl)Thio]Acetic Acid
• Molecular Formula: C₁₀H₁₃N₅O₂S
• Molecular Weight: 267.31
• CAS Registry Number: 42204-31-9
• SMILES: C1=NC2=C([N]1CCC)N=C(N)N=C2SCC(O)=O
• InChI: 1S/C10H13N5O2S/c1-2-3-15-5-12-7-8(15)13-10(11)14-9(7)18-4-6(16)17/h5H,2-4H2,1H3,(H,16,17)(H2,11,13,14)
• InChIKey: PMRBNAQORARSML-UHFFFAOYSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Boiling point: 591.16°C at 760 mmHg (Cal.)
• Flash point: 311.323°C (Cal.)