2,4-BIS(METHYLTHIO)PYRIDINE

This chemical is called Pyridine,2,4-bis(methylthio)-, and it can also be named as 2,4-Bis(methylthio)pyridine. With the molecular formula of C₇H₉NS₂, its molecular weight is 171.28. The CAS registry number of this chemical is 71506-85-9. Additionally, its product category is Pyridines.

Other characteristics of the Pyridine,2,4-bis(methylthio)- can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 388; (8)ACD/KOC (pH 7.4): 423; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.49 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 49.829 cm³; (15)Molar Volume: 143.419 cm³; (16)Polarizability: 19.754×10^-24cm³; (17)Surface Tension: 50.484 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 124.363 °C; (20)Enthalpy of Vaporization: 49.994 kJ/mol; (21)Boiling Point: 282.023 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

Production method of this chemical: The Pyridine,2,4-bis(methylthio)- could be obtained by the reactants of 2,4-dichloro-pyridine and methanethiol; sodium salt. This reaction needs the solvent of dimethylformamide. The yield is 88 %. In addition, this reaction should be taken for 6 hours at the temperature of 140 °C.

Uses of this chemical: The 2,4-bis-methanesulfonyl-pyridine could be obtained by the reactant of Pyridine,2,4-bis(methylthio)-. This reaction needs the reagent of 5.25percent sodium hypochlorite. The yield is 89 %. This reaction should be taken for 2 hours at the ambient temperature.

You can still convert the following datas into molecular structure: 
1.SMILES: CSc1cc(SC)ccn1
2.InChI: InChI=1/C7H9NS2/c1-9-6-3-4-8-7(5-6)10-2/h3-5H,1-2H3
3.InChIKey: XRMQBYHACWVZKX-UHFFFAOYAM