3-(Diethoxyphosphinylthio)-4-Chlorothiolane 1,1-Dioxide
[CAS# 4915-25-7]

Identification

• Name: 3-(Diethoxyphosphinylthio)-4-Chlorothiolane 1,1-Dioxide
• Synonyms: 1-[3-(Trifluoromethyl)Phenyl]-1,3-Dihydrothiazolo[3,4-A]Benzimidazole; Nci60_008457; 1-(3-(Trifluoromethyl)Phenyl)-3H-[1,3]Thiazolo[3,4-A]Benzimidazole
• Molecular Formula: C₁₆H₁₁F₃N₂S
• Molecular Weight: 320.33
• CAS Registry Number: 4915-25-7 (136995-01-2)
• SMILES: C4=C3[N]2C(C1=CC=CC(=C1)C(F)(F)F)SCC2=NC3=CC=C4
• InChI: 1S/C16H11F3N2S/c17-16(18,19)11-5-3-4-10(8-11)15-21-13-7-2-1-6-12(13)20-14(21)9-22-15/h1-8,15H,9H2
• InChIKey: XTLVALLIRNCOGM-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 471.908°C at 760 mmHg (Cal.)
• Flash point: 239.202°C (Cal.)