Dithiophosphoric Acid O,O-Diethyl S-[(1,3-Dihydro-1,3-Dioxo-2H-Isoindol-2-Yl)Methyl] Ester
[CAS# 6119-96-6]

Identification

• Name: Dithiophosphoric Acid O,O-Diethyl S-[(1,3-Dihydro-1,3-Dioxo-2H-Isoindol-2-Yl)Methyl] Ester
• Synonyms: 2-(Diethoxyphosphinothioylsulfanylmethyl)Isoindoline-1,3-Dione; 2-[(Diethoxyphosphinothioylthio)Methyl]Isoindoline-1,3-Dione; 2-[(Diethoxythiophosphorylthio)Methyl]Isoindoline-1,3-Quinone
• Molecular Formula: C₁₃H₁₆NO₄PS₂
• Molecular Weight: 345.37
• CAS Registry Number: 6119-96-6
• SMILES: C1=CC=CC2=C1C(N(C2=O)CS[P](=S)(OCC)OCC)=O
• InChI: 1S/C13H16NO4PS2/c1-3-17-19(20,18-4-2)21-9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3
• InChIKey: KTZJVUBSCYTBMB-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 436.857°C at 760 mmHg (Cal.)
• Flash point: 218.004°C (Cal.)