{[4-Amino-5-(Ethoxycarbonyl)Pyrimidin-2-Yl]Thio}Acetic Acid
[CAS# 115102-54-0]

Identification

• Name: {[4-Amino-5-(Ethoxycarbonyl)Pyrimidin-2-Yl]Thio}Acetic Acid
• Synonyms: 2-(4-Amino-5-Ethoxycarbonyl-Pyrimidin-2-Yl)Sulfanylacetate; 2-[(4-Amino-5-Ethoxycarbonyl-2-Pyrimidinyl)Thio]Acetate; 2-[(4-Amino-5-Carbethoxy-Pyrimidin-2-Yl)Thio]Acetate
• Molecular Formula: C₉H₁₀N₃O₄S
• Molecular Weight: 256.26
• CAS Registry Number: 115102-54-0
• SMILES: C1=C(C(=NC(=N1)SCC([O-])=O)N)C(OCC)=O
• InChI: 1S/C9H11N3O4S/c1-2-16-8(15)5-3-11-9(12-7(5)10)17-4-6(13)14/h3H,2,4H2,1H3,(H,13,14)(H2,10,11,12)/p-1
• InChIKey: KXVUMCRNMDWQHQ-UHFFFAOYSA-M

Properties

• Boiling point: 481.655°C at 760 mmHg (Cal.)
• Flash point: 245.096°C (Cal.)