5-(1,3-Benzodioxol-5-Ylmethylidene)-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
[CAS# 74051-76-6]

Identification

• Name: 5-(1,3-Benzodioxol-5-Ylmethylidene)-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
• Synonyms: 5-(1,3-Benzodioxol-5-Ylmethylene)-2-Thioxo-Hexahydropyrimidine-4,6-Dione; 5-(1,3-Benzodioxol-5-Ylmethylene)-2-Thioxohexahydropyrimidine-4,6-Dione; 5-(1,3-Benzodioxol-5-Ylmethylene)-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₁₂H₈N₂O₄S
• Molecular Weight: 276.27
• CAS Registry Number: 74051-76-6
• SMILES: C2=C(C=C1C(NC(=S)NC1=O)=O)C=CC3=C2OCO3
• InChI: 1S/C12H8N2O4S/c15-10-7(11(16)14-12(19)13-10)3-6-1-2-8-9(4-6)18-5-17-8/h1-4H,5H2,(H2,13,14,15,16,19)
• InChIKey: QDSDZOMKACYBSB-UHFFFAOYSA-N

Properties

• Density: 1.62g/cm³ (Cal.)