2-METHANESULFONYL-4-METHYL-PYRIMIDINE

The Pyrimidine, 4-methyl-2-(methylsulfonyl)-, with the CAS registry number 77166-01-9, is also known as 2-Methanesulfonyl-4-methyl-pyrimidine. This chemical's molecular formula is C₆H₈N₂O₂S and molecular weight is 172.20. What's more, its systematic name is 4-Methyl-2-(methylsulfonyl)pyrimidine.

Physical properties about Pyrimidine, 4-methyl-2-(methylsulfonyl)- are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.61; (8)ACD/KOC (pH 7.4): 13.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.3 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 40.41 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 16.02×10^-24 cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.285 g/cm³; (19)Flash Point: 163.6 °C; (20)Enthalpy of Vaporization: 56.78 kJ/mol; (21)Boiling Point: 346.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000112 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic by inhalation and if swallowed. Meanwhile, it is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. In addition, this material and its container must be disposed of as hazardous waste. Besides, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1nc(ccn1)C)C
(2) InChI: InChI=1/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3
(3) InChIKey: LWSFXJZBVVGVIO-UHFFFAOYAY