4,6-Disulfanylidene-1,3,5-Triazinan-2-One
[CAS# 33776-96-4]

Identification

• Name: 4,6-Disulfanylidene-1,3,5-Triazinan-2-One
• Synonyms: 4,6-Dithioxo-1,3,5-Triazinan-2-One; Nsc 50578
• Molecular Formula: C₃H₃N₃OS₂
• Molecular Weight: 161.20
• CAS Registry Number: 33776-96-4
• EINECS: 251-675-5
• SMILES: O=C1NC(=S)NC(=S)N1
• InChI: 1S/C3H3N3OS2/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
• InChIKey: IDYUFXLSXUPQOY-UHFFFAOYSA-N

Properties

• Density: 1.773g/cm³ (Cal.)
• Boiling point: 459.8°C at 760 mmHg (Cal.)
• Flash point: 231.9°C (Cal.)

References

• (1): Brandi L. Schottel, Helen T. Chifotides and Kim R. Dunbar. Anion-p interactions, Chem. Soc. Rev., 2008, 37, 68.