The Melamine p-toluenesulphonate, with CAS registry number 13438-46-5, has the systematic name of 4-methylbenzenesulfonic acid; 1,3,5-triazinane-2,4,6-triimine. Besides this, it is also called 1,3,5-triazine-2,4,6-triamine 4-methylbenzenesulfonate. And the chemical formula of this chemical is C10H14N6O3S.
Physical properties of Melamine p-toluenesulphonate: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 9; (3)#H bond donors: 7; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 170.39 Å2; (6)Flash Point: 224.1 °C; (7)Enthalpy of Vaporization: 74.32 kJ/mol; (8)Boiling Point: 446.9 °C at 760 mmHg; (9)Vapour Pressure: 9.01E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)O.c1(=N)[nH]c(=N)[nH]c(=N)[nH]1
(2)InChI: InChI=1/C7H8O3S.C3H6N6/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-7-2(5)9-3(6)8-1/h2-5H,1H3,(H,8,9,10);(H6,4,5,6,7,8,9)
(3)InChIKey: STSQYDBAXOVDTR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H8O3S.C3H6N6/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-7-2(5)9-3(6)8-1/h2-5H,1H3,(H,8,9,10);(H6,4,5,6,7,8,9)
(5)Std. InChIKey: STSQYDBAXOVDTR-UHFFFAOYSA-N
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