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Molecular_Structure:
|
['1. Molar refractive index 1061 ', '2. Molar volume 2993 ', '3. Parachor （902K）8033 ', '4. Surface tension 518 ', '5. Dielectric constant N/A ', '6. Polarizability 4206 ', '7. Single isotope mass 366140198 Da ', '8. Nominal mass 366 Da ', '9. Average mass 3664766 Da']
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|
LogP:
|
4.59
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|
Flash_Point:
|
278.8±32.9 °C
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Refractive_Index:
|
1.627
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|
FW:
|
366.477
|
|
Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
|
537.3±60.0 °C at 760 mmHg
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Melting_Point:
|
128-131 °C(lit.)
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|
Computational_Chemistry:
|
['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 806 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :511 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '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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|
Water_Solubility:
|
insoluble
|
|
PSA:
|
80.57000
|
|
MF:
|
C21H22N2O2S
|
|
More_Info:
|
['1 . Appearance White to 浅色Solid ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）128-131 ', '5 . Boiling point（ºC） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index-30 º ', '8 . Flash point ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '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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|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Exact_Mass:
|
366.140198
|
