2-[(4,6-Dioxo-2-Sulfanylidene-1,3-Diazinan-5-Ylidene)Methyl]Benzoic Acid
[CAS# 73909-20-3]

Identification

• Name: 2-[(4,6-Dioxo-2-Sulfanylidene-1,3-Diazinan-5-Ylidene)Methyl]Benzoic Acid
• Synonyms: 2-[(4,6-Dioxo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)Methyl]Benzoic Acid; 2-[(4,6-Dioxo-2-Thioxo-5-Hexahydropyrimidinylidene)Methyl]Benzoic Acid; 2-[(4,6-Diketo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)Methyl]Benzoic Acid
• Molecular Formula: C₁₂H₈N₂O₄S
• Molecular Weight: 276.27
• CAS Registry Number: 73909-20-3
• SMILES: C1=CC=CC(=C1C=C2C(=O)NC(=S)NC2=O)C(O)=O
• InChI: 1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-3-1-2-4-7(6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)
• InChIKey: WHZCXTOAZVYXJV-UHFFFAOYSA-N

Properties

• Density: 1.608g/cm³ (Cal.)