The 4,5,6-Triaminopyrimidine sulfate hydrate, with the CAS registry number 207742-76-5, is also known as Pyrimidine, 4,5,6-triamino-, sulfate, hydrate. Its EINECS registry number is 256-446-3. This chemical's molecular formula is C4H11N5O5S and molecular weight is 241.23. What's more, its systematic name is Pyrimidine-4,5,6-triamine sulfate hydrate (1:1:1).
Physical properties about 4,5,6-Triaminopyrimidine sulfate hydrate are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.5 Å2; (7)Flash Point: 228.5 °C; (8)Enthalpy of Vaporization: 65.79 kJ/mol; (9)Boiling Point: 406.2 °C at 760 mmHg; (10)Vapour Pressure: 8.28E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)O.n1c(N)c(N)c(nc1)N.O
(2) InChI: InChI=1/C4H7N5.H2O4S.H2O/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4;/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4);1H2
(3) InChIKey: WRXLIMZODSSQIH-UHFFFAOYAJ
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