3-METHYL-2-P-TOLYLIMINO-BENZOTHIAZOLINE

This chemical is called Benzenamine, 4-methyl-N-(3-methyl-2(3H)-benzothiazolylidene)-, and its CAS registry number is 70038-60-7. With the molecular formula of C₁₅H₁₄N₂S, its molecular weight is 254.35.

Other characteristics of the Benzenamine, 4-methyl-N-(3-methyl-2(3H)-benzothiazolylidene)- can be summarised as followings: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 990.19; (6)ACD/BCF (pH 7.4): 1165.36; (7)ACD/KOC (pH 5.5): 4629.67; (8)ACD/KOC (pH 7.4): 5448.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.9 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 78.47 cm³; (15)Molar Volume: 216.8 cm³; (16)Polarizability: 31.11×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 203.9 °C; (20)Enthalpy of Vaporization: 66.63 kJ/mol; (21)Boiling Point: 413.5 °C at 760 mmHg; (22)Vapour Pressure: 4.79E-07 mmHg at 25°C.

Production method of this chemical: The Benzenamine, 4-methyl-N-(3-methyl-2(3H)-benzothiazolylidene) could be obtained by the reactants of 4-methyl-aniline and 3-methyl-2-methylsulfanyl-benzothiazolium; iodide. This reaction needs the reagent of triethylamine, and the solvent of CH₂Cl₂. The yield is 94 %. In addition, this reaction should be taken for 8 hours at the temperature of 25 °C.

Uses of this chemical: The Benzenamine, 4-methyl-N-(3-methyl-2(3H)-benzothiazolylidene)- could react with toluene-4-sulfonic acid methyl ester to obtain the 3-methyl-2-(N-methyl-p-toluidino)benzothiazolium toluene-p-sulphonate. The yield is 95 %. This reaction should be taken for 1 hour at the temperature of 100 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc1ccc(cc1)/N=C3/Sc2ccccc2N3C
2.InChI: InChI=1/C15H14N2S/c1-11-7-9-12(10-8-11)16-15-17(2)13-5-3-4-6-14(13)18-15/h3-10H,1-2H3/b16-15+
3.InChIKey: PWDGKJBZJNJIFU-FOCLMDBBBQ