3-[[Dibromo(1H-1,2,4-Triazol-3-Ylsulphonyl)Methyl]Thio]-1H-1,2,4-Triazole
[CAS# 93841-30-6]

Identification

• Name: 3-[[Dibromo(1H-1,2,4-Triazol-3-Ylsulphonyl)Methyl]Thio]-1H-1,2,4-Triazole
• Synonyms: 3-[Dibromo-(2H-1,2,4-Triazol-3-Ylthio)Methyl]Sulfonyl-2H-1,2,4-Triazole; 3-((Dibromo(1H-1,2,4-Triazol-3-Ylsulphonyl)Methyl)Thio)-1H-1,2,4-Triazole
• Molecular Formula: C₅H₄Br₂N₆O₂S₂
• Molecular Weight: 404.05
• CAS Registry Number: 93841-30-6
• EINECS: 299-000-3
• SMILES: C1=N[NH]C(=N1)[S](=O)(=O)C(Br)(Br)SC2=NC=N[NH]2
• InChI: 1S/C5H4Br2N6O2S2/c6-5(7,16-3-8-1-10-12-3)17(14,15)4-9-2-11-13-4/h1-2H,(H,8,10,12)(H,9,11,13)
• InChIKey: WCKNZCVNPCVIPD-UHFFFAOYSA-N

Properties

• Density: 2.546g/cm³ (Cal.)
• Boiling point: 546.652°C at 760 mmHg (Cal.)
• Flash point: 284.405°C (Cal.)