2,2'-[(Methylimino)Diethylene]Di-1,2-Benzisothiazolin-3-One 1,1,1',1'-Tetraoxide
[CAS# 7145-98-4]

Identification

• Name: 2,2'-[(Methylimino)Diethylene]Di-1,2-Benzisothiazolin-3-One 1,1,1',1'-Tetraoxide
• Synonyms: 1,1-Diketo-2-[2-[Methyl-[2-(1,1,3-Triketo-1,2-Benzothiazol-2-Yl)Ethyl]Amino]Ethyl]-1,2-Benzothiazol-3-One; Nsc15629
• Molecular Formula: C₁₉H₁₉N₃O₆S₂
• Molecular Weight: 449.50
• CAS Registry Number: 7145-98-4
• SMILES: C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCN(C)CCN3[S](=O)(=O)C4=C(C3=O)C=CC=C4
• InChI: 1S/C19H19N3O6S2/c1-20(10-12-21-18(23)14-6-2-4-8-16(14)29(21,25)26)11-13-22-19(24)15-7-3-5-9-17(15)30(22,27)28/h2-9H,10-13H2,1H3
• InChIKey: PVUCFNGTVZMSGV-UHFFFAOYSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 676.916°C at 760 mmHg (Cal.)
• Flash point: 363.186°C (Cal.)