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Molecular_Structure:
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['1 . Molar refractive index 3804 ', '2 . Molar volume （m3/mol）1005 ', '3 . Parachor （902K）3175 ', '4 . Surface tension 997 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1508']
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Flash_Point:
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198.5±23.2 °C
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Refractive_Index:
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1.682
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FW:
|
158.178
|
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Density:
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1.6±0.1 g/cm3
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Bolling_Point:
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404.5±25.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :5 ', '6. TPSA 87 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :222 ', '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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|
LogP:
|
-0.56
|
|
Melting_Point:
|
>300 °C(lit.)
|
|
PSA:
|
91.54000
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MF:
|
C5H6N2O2S
|
|
More_Info:
|
['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>300°C(lit) ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 难Soluble in Water ']
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|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
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|
Exact_Mass:
|
158.014999
|
