3-Methyl-5-{[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]amino}[1,2]thiazolo[5,4-d]pyrimidine-4,6(2H,5H)-dione
[CAS# 89367-92-0]

Identification

• Name: 3-Methyl-5-{[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]amino}[1,2]thiazolo[5,4-d]pyrimidine-4,6(2H,5H)-dione
• Synonyms: 5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione; 5-(4'-Hydroxybenzylidenoimino)-3-methylisothiazolo(5,4-d)pyrimidine-(7H)-4,6-dione
• Molecular Formula: C₁₃H₁₀N₄O₃S
• Molecular Weight: 302.31
• CAS Registry Number: 89367-92-0
• SMILES: O=C\1\C=C/C(/C=C/1)=C\NN3C(=O)/N=C2/SN\C(=C2C3=O)C
• InChI: 1S/C13H10N4O3S/c1-7-10-11(21-16-7)15-13(20)17(12(10)19)14-6-8-2-4-9(18)5-3-8/h2-6,14,16H,1H3
• InChIKey: NCAGJAMDRAFFID-UHFFFAOYSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 486.757°C at 760 mmHg (Cal.)
• Flash point: 248.182°C (Cal.)