|
Refractive_Index:
|
1.755
|
|
Vapor_Pressure:
|
0.0±2.7 mmHg at 25°C
|
|
Flash_Point:
|
241.3±31.5 °C
|
|
LogP:
|
-0.71
|
|
Bolling_Point:
|
475.4±55.0 °C at 760 mmHg
|
|
FW:
|
229.256
|
|
PSA:
|
115.67000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 113 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :331 ', '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']
|
|
Melting_Point:
|
177 °C
|
|
MF:
|
C8H11N3O3S
|
|
Exact_Mass:
|
229.052109
|
|
Molecular_Structure:
|
['1. Molar refractive index 5414 ', '2. Molar volume 1322 ', '3. Parachor （902K）3946 ', '4. Surface tension 793 ', '5. Dielectric constant N/A ', '6. Polarizability 2146 ', '7. Single isotope mass 229052111 Da ', '8. Nominal mass 229 Da ', '9. Average mass 2292562 Da']
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White Solid ', '2 . Density（g/mL,20℃）1503 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）160～162 ', '5 . Boiling point（ºC,Atmospheric pressure）475 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive index-142º（C=1，MeOH） ', '8 . Flash point（ºC）241 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 可Soluble in Water ']
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