Sulfasymazine
[CAS# 1984-94-7]

Identification

• Name: Sulfasymazine
• Synonyms: 4-Amino-N-(4,6-Diethyl-S-Triazin-2-Yl)Benzenesulfonamide; Benzenesulfonamide, 4-Amino-N-(4,6-Diethyl-1,3,5-Triazin-2-Yl)-; N1-(4,6-Diethyl-1,3,5-Triazin-2-Yl)Sulfanilamid
• Molecular Formula: C₁₃H₁₇N₅O₂S
• Molecular Weight: 307.37
• CAS Registry Number: 1984-94-7
• SMILES: C2=C([S](NC1=NC(=NC(=N1)CC)CC)(=O)=O)C=CC(=C2)N
• InChI: 1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
• InChIKey: ZQMQGBHQZZQTJE-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 573.789°C at 760 mmHg (Cal.)
• Flash point: 300.817°C (Cal.)

References

• (1): M. F. Haddow, T. Gelbrich and U. J. Griesser. Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine, Acta Cryst. (2008). C64, o309-o312