24519-27-5

The 1,4-Dithiin-2,3-dicarbonitrile,5,6-dihydro-, with the CAS registry number 24519-27-5, is also known as 1,4-Dithia-2-cyclohexene-2,3-dicarbonitrile. This chemical's molecular formula is C₆H₄N₂S₂ and molecular weight is 168.24. What's more, its systematic name is 5,6-dihydro-1,4-dithiine-2,3-dicarbonitrile. 

Physical properties of 1,4-Dithiin-2,3-dicarbonitrile,5,6-dihydro- are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.9; (6)ACD/BCF (pH 7.4): 3.9; (7)ACD/KOC (pH 5.5): 92.28; (8)ACD/KOC (pH 7.4): 92.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 98.18 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 43.14 cm³; (15)Molar Volume: 118.2 cm³; (16)Polarizability: 17.1×10^-24cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 48.7 kJ/mol; (21)Boiling Point: 249.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0225 mmHg at 25°C.

Uses of 1,4-Dithiin-2,3-dicarbonitrile,5,6-dihydro-: it can be used to produce 7,7-dichloro-2,3-dihydro-7H-[1,4]dithiino[2,3-c]pyrrol-5-ylamine; hydrochloride. It will need reagent hydrogen chloride and solvent CHCl₃ with the reaction time of 12 hours. The yield is about 57%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC=1SCCSC=1C#N
(2)InChI: InChI=1S/C6H4N2S2/c7-3-5-6(4-8)10-2-1-9-5/h1-2H2
(3)InChIKey: FBSVHCGELQWERO-UHFFFAOYSA-N