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1,3-Benzodithiole

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Name

1,3-Benzodithiole

EINECS N/A
CAS No. 274-30-6 Density 1.312±0.06 g/cm3(Predicted)
PSA 50.60000 LogP 2.84190
Solubility N/A Melting Point N/A
Formula C7H6S2 Boiling Point 104-106 °C(Press: 2 Torr)
Molecular Weight 154.257 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 274-30-6 (1,3-BENZODITHIOL) Hazard Symbols N/A
Synonyms

1,2-(Methylenedithio)benzene;Benzene, 1,2-[methylenebis(thio)]-;

Article Data 3

1,3-Benzodithiole Specification

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 Å2; (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.

The 1,3-Benzodithiole could be obtained by the reactant of benzo[1,3]dithiole-2-thione.

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.

The 1,3-Benzodithiole could make a decomposition reaction, and obtain the 1,3-benzodithiole 1-oxide.

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