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Exact_Mass:
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164.040817
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Computational_Chemistry:
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['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 672 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :151 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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Bolling_Point:
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322.0±35.0 °C at 760 mmHg
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Flash_Point:
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148.6±25.9 °C
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More_Info:
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['1 . Appearance White 疏松状结晶体。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）137-139 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Insoluble in Water 。']
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Molecular_Structure:
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['1 . Molar refractive index 5022 ', '2 . Molar volume （m3/mol）1388 ', '3 . Parachor （902K）3637 ', '4 . Surface tension : 471 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1990']
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Vapor_Pressure:
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0.0±0.7 mmHg at 25°C
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PSA:
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67.15000
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Density:
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1.3±0.1 g/cm3
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FW:
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164.227
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MF:
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C8H8N2S
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Refractive_Index:
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1.726
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LogP:
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2.35
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Melting_Point:
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137-139 °C(lit.)
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