|
MF:
|
C14H16N2O2S
|
|
Bolling_Point:
|
445.4±47.0 °C at 760 mmHg
|
|
Exact_Mass:
|
276.093262
|
|
More_Info:
|
['1 . Appearance 灰White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）56-60 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
|
|
Melting_Point:
|
56-60 °C(lit.)
|
|
PSA:
|
71.78000
|
|
Flash_Point:
|
223.1±29.3 °C
|
|
Refractive_Index:
|
1.632
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 7704 ', '2 . Molar volume （m3/mol）2158 ', '3 . Parachor （902K）5915 ', '4 . Surface tension 563 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 3054']
|
|
Computational_Chemistry:
|
['1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 634 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 371 ', '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']
|
|
FW:
|
276.354
|
|
LogP:
|
2.10
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
