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Molecular_Structure:
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['1 . Molar refractive index 5859 ', '2 . Molar volume （m3/mol）1795 ', '3 . Parachor （902K）4959 ', '4 . Surface tension 581 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）不可用 ', '7 . Polarizability 2323']
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Flash_Point:
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136.8±23.2 °C
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Refractive_Index:
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1.623
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FW:
|
213.303
|
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Density:
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1.3±0.1 g/cm3
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Bolling_Point:
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302.5±25.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 88 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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:
|
1.21
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|
Melting_Point:
|
82-83°C
|
|
PSA:
|
88.03000
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|
MF:
|
C8H15N5S
|
|
More_Info:
|
['1 . Appearance White 晶体。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）82-83 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,18mmHg）Unknow ', '7 . Refractive index（n 20/D ）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（uPa,20ºC）947uPa ', '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 22℃Water 中溶解度为450ppm，易Soluble in 甲醇 Ethanol 氯仿']
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Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
213.104813
|
