1,3-BENZODITHIOL

This chemical is called 1,3-Benzodithiole, and its systematic name is 1,3-benzodithiole. With the molecular formula of C₇H₆S₂, its molecular weight is 154.25. The CAS registry number of this chemical is 274-30-6. 

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 50; (6)ACD/BCF (pH 7.4): 50; (7)ACD/KOC (pH 5.5): 572; (8)ACD/KOC (pH 7.4): 572; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.6 Ų; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 45.528 cm³; (15)Molar Volume: 117.481 cm³; (16)Polarizability: 18.049×10^-24 cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 113.375 °C; (20)Enthalpy of Vaporization: 46.783 kJ/mol; (21)Boiling Point: 250.289 °C at 760 mmHg; (22)Vapour Pressure: 0.035 mmHg at 25°C.

Production method of this chemical: The 1,3-Benzodithiole could be obtained by the reactant of benzo[1,3]dithiole-2-thione. This reaction needs the reagent of DIBAL, and the solvent of toluene. The yield is 88 %. In addition, this reaction should be taken at the temperature of 110 °C.



Uses of this chemical: The 1,3-Benzodithiole could make a decomposition reaction, and obtain the 1,3-benzodithiole 1-oxide. This reaction needs the reagent of sodium periodate, and the solvents of methanol and H₂O. The yield is 70 %. In addition, this reaction should be taken for 1 hour at the temperature of 20 °C.