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Molecular_Structure:
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['1 . Molar refractive index 6547 ', '2 . Molar volume 1618 ', '3 . Parachor （902K）4832 ', '4 . Surface tension 794 ', '5 . Polarizability 2595']
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Flash_Point:
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199.1±29.3 °C
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Refractive_Index:
|
1.743
|
|
FW:
|
238.352
|
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Density:
|
1.5±0.1 g/cm3
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|
Bolling_Point:
|
405.6±47.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 116 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :238 ', '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:
|
3.12
|
|
PSA:
|
115.52000
|
|
MF:
|
C9H6N2S3
|
|
More_Info:
|
['1 . Appearance 棕红色Liquid 。 ', '2 . Density（g/mL,20℃）138 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）70～100 ', '5 . Boiling point（ºC）106 ', '6 . Refractive index15175 ', '7 . Flash point（ºC）>120 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）<133 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 不确定']
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|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Exact_Mass:
|
237.969315
|
