O-Methylisourea hemisulfate (52328-05-9)

The O-Methylisourea hemisulfate, with the CAS registry number 52328-05-9, is also known as Bis(2-methylisouronium) sulphate. Its EINECS number is 257-851-8. This chemical's molecular formula is 2(C₂H₆N₂O).H₂SO₄ and formula weight is 246.24. What's more, its systematic name is called methyl carbamimidate sulfate (2:1). This chemical is white crystals or crystalline powder. When you are using this chemical, please be cautious about it, you should avoid contact it with your skin and eyes.

Physical properties of O-Methylisourea hemisulfate: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 10; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 110.64 Å²; (6)Flash Point: 210.7 °C; (7)Melting Point: 163-167 °C(lit.); (8)Enthalpy of Vaporization: 74.5 kJ/mol; (9)Boiling Point: 424.7 °C at 760 mmHg; (10)Vapour Pressure: 2.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.[N@H]=C(OC)N.[N@H]=C(OC)N
(2)InChI: InChI=1/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
(3)InChIKey: QSCPQKVWSNUJLJ-UHFFFAOYAL