4,6,6-Trimethyl(6H)-1,3-thiazin-2-amine

The 4, 6, 6-Trimethyl-6H-1, 3-thiazin-2-ylamine, with the CAS registry number 2953-81-3, is also known as 6H-1, 3-Thiazin-2-amine, 4, 6, 6-trimethyl-. This chemical's molecular formula is C₇H₁₂N₂S and molecular weight is 156.2486. What's more, its systematic name is 4, 6, 6-Trimethyl-6H-1, 3-thiazin-2-amine.

Physical properties about 4, 6, 6-Trimethyl-6H-1, 3-thiazin-2-ylamine are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 60.93; (8)ACD/KOC (pH 7.4): 109.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.9 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 45 cm³; (15)Molar Volume: 135.2 c^m3; (16)Polarizability: 17.84×10^-24 cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 103.9 °C; (20)Enthalpy of Vaporization: 48.54 kJ/mol; (21)Boiling Point: 248.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0246 mmHg at 25 °C.

Preparation of 4, 6, 6-Trimethyl-6H-1, 3-thiazin-2-ylamine: this chemical is prepared by reaction of 4-Methyl-pent-3-en-2-one with Thiourea. This reaction needs reagents HCl and Et₃N. Meanwhile, it needs solvents Ethanol and CH₂Cl₂. This reaction needs two steps, the reaction conditions are 1.) 1h, 20 °C; 2.) 4h, 20 °C. The yield is about 95 %.

Uses of 4, 6, 6-Trimethyl-6H-1, 3-thiazin-2-ylamine: it is used to produce other chemicals. For example, it is used to produce N, N-Dimethyl-N'-(4, 6, 6-trimethyl-6H-1, 3-thiazin-2-yl)-acetamidine by heating. The reaction needs solvent CH₂Cl₂. The reaction time is 16 hours. The yield is about 98 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N=1\C(=C/C(SC=1N)(C)C)C
(2) InChI: InChI=1/C7H12N2S/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H2,8,9)
(3) InChIKey: SPXILDALAUEEHO-UHFFFAOYAH