N,N'-DITHIOBISPHTHALIMIDE

The 1H-Isoindole-1,3(2H)-dione,2,2'-dithiobis-, with the CAS registry number 7764-30-9, is also known as 2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)dithio]-1H-isoindole-1,3(2H)-dione. It belongs to the product categories of Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C₁₆H₈N₂O₄S₂ and molecular weight is 356.38. What's more, its systematic name is 2,2'-disulfanediylbis(1H-isoindole-1,3(2H)-dione).

Physical properties of 1H-Isoindole-1,3(2H)-dione,2,2'-dithiobis- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 125.36 Å²; (7)Index of Refraction: 1.825; (8)Molar Refractivity: 90.14 cm³; (9)Molar Volume: 206 cm³; (10)Polarizability: 35.73×10^-24cm³; (11)Surface Tension: 101 dyne/cm; (12)Density: 1.72 g/cm³; (13)Flash Point: 310.2 °C; (14)Enthalpy of Vaporization: 87.96 kJ/mol; (15)Boiling Point: 589.4 °C at 760 mmHg; (16)Vapour Pressure: 7.23E-14 mmHg at 25°C.

Preparation: this chemical can be prepared by phthalimide at the temperature of 0°C. This reaction will need reagents Et₃N, sulfur monochloride and solvent tetrahydrofuran with the reaction time of 45 min. The yield is about 56.3%.

Uses of 1H-Isoindole-1,3(2H)-dione,2,2'-dithiobis-: it can be used to N-chlorosulfanyl-phthalimide at the ambient temperature. It will need reagents SO₂Cl₂, pyridine and solvent CH₂Cl₂ with the reaction time of 2 days. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c1ccccc1C(=O)N4SSN3C(=O)c2ccccc2C3=O
(2)InChI=1S/C16H8N2O4S2/c19-13-9-5-1-2-6-10(9)14(20)1(13)23-24-18-15(21)11-7-3-4-8-12(11)16(18)22/h1-8H
(3)Std. InChIKey: XVJMNRIABVPIOU-UHFFFAOYSA-N