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CAS No.: | 14161-09-2 |
---|---|
Name: | 2-METHANESULFONYL-PYRIMIDINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H6N2O2S |
Molecular Weight: | 158.181 |
Synonyms: | 2-(Methylsulfonyl)pyrimidine; |
Density: | 1.344 g/cm3 |
Boiling Point: | 335.647 °C at 760 mmHg |
Flash Point: | 156.794 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 68.30000 |
LogP: | 0.96090 |
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The Pyrimidine, 2-(methylsulfonyl)-, with the CAS registry number 14161-09-2, is also known as 2-(Methylsulphonyl)pyrimidine. This chemical's molecular formula is C5H6N2O2S and molecular weight is 158.18. What's more, its IUPAC name is 2-Methylsulfonylpyrimidine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Pyrimidine, 2-(methylsulfonyl)- are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 8; (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: 1.52; (14)Molar Refractivity: 35.794 cm3; (15)Molar Volume: 117.659 cm3; (16)Polarizability: 14.19×10-24 cm3; (17)Surface Tension: 51.001 dyne/cm; (18)Density: 1.344 g/cm3; (19)Flash Point: 156.794 °C; (20)Enthalpy of Vaporization: 55.578 kJ/mol; (21)Boiling Point: 335.647 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(C)c1ncccn1
(2) InChI: InChI=1/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H3
(3) InChIKey: OIGXNHYFKZCTCH-UHFFFAOYAK