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CAS No.: | 71160-32-2 |
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Name: | 2-({2,4-bisnitrophenyl}sulfanyl)-4-methylpyrimidine |
Molecular Structure: | |
Formula: | C11H8N4O4S |
Molecular Weight: | 292.2706 |
Synonyms: | HMS2402I21;2-({2,4-bisnitrophenyl}sulfanyl)-4-methylpyrimidine;2-(2,4-dinitro-phenylsulfanyl)-4-methyl-pyrimidine; |
Density: | 1.54 g/cm3 |
Boiling Point: | 513.9 °C at 760 mmHg |
Flash Point: | 264.6 °C |
PSA: | 142.72000 |
LogP: | 3.79900 |
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This chemical is called 2-(2,4-Dinitrophenyl)sulfanyl-4-methyl-pyrimidine. With the molecular formula of C11H8N4O4S, its molecular weight is 292.2706. The CAS registry number of this chemical is 71160-32-2.
Other characteristics of the 2-(2,4-Dinitrophenyl)sulfanyl-4-methyl-pyrimidine chemical can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 142.72 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 71.76 cm3; (9)Molar Volume: 189.4 cm3; (10)Polarizability: 28.44×10-24cm3; (11)Surface Tension: 83.9 dyne/cm; (12)Density: 1.54 g/cm3; (13)Flash Point: 264.6 °C; (14)Enthalpy of Vaporization: 75.57 kJ/mol; (15)Boiling Point: 513.9 °C at 760 mmHg; (16)Vapour Pressure: 3.67E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccc(Sc1nc(ccn1)C)c([N+]([O-])=O)c2|
2.InChI: InChI=1/C11H8N4O4S/c1-7-4-5-12-11(13-7)20-10-3-2-8(14(16)17)6-9(10)15(18)19/h2-6H,1H3|
3.InChIKey: ZYDWRNHCAYNNMW-UHFFFAOYAY