3-[(Methoxy-Methylsulfanylphosphoryl)Sulfanylmethyl]-1,2,3-Benzotriazin-4-One
[CAS# 75744-77-3]

Identification

• Name: 3-[(Methoxy-Methylsulfanylphosphoryl)Sulfanylmethyl]-1,2,3-Benzotriazin-4-One
• Synonyms: 3-[(Methoxy-Methylsulfanyl-Phosphoryl)Sulfanylmethyl]-1,2,3-Benzotriazin-4-One; 3-[[[Methoxy-(Methylthio)Phosphoryl]Thio]Methyl]-1,2,3-Benzotriazin-4-One; Phosphorodithioic Acid, O,S-Dimethyl S-((4-Oxo-1,2,3-Benzotriazin-3(4H)-Yl)Methyl) Ester
• Molecular Formula: C₁₀H₁₂N₃O₃PS₂
• Molecular Weight: 317.32
• CAS Registry Number: 75744-77-3
• SMILES: C2=C1C(=O)N(N=NC1=CC=C2)CS[P](SC)(OC)=O
• InChI: 1S/C10H12N3O3PS2/c1-16-17(15,18-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
• InChIKey: XUEHYYIDFHQTHZ-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 455.522°C at 760 mmHg (Cal.)
• Flash point: 229.292°C (Cal.)