|
MF:
|
C3H2N2S2
|
|
Bolling_Point:
|
285.2±23.0 °C at 760 mmHg
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|
Exact_Mass:
|
129.965942
|
|
More_Info:
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['1 . Appearance Colourless 针状结晶 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）105 ', '5 . Boiling point（ºC,Atmospheric pressure）289 ', '6 . Boiling point（ºC，22mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）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 203 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难Soluble in Water ，Soluble in 二氧六环二甲基甲酰胺，微Soluble in 其他有机溶剂。在室温Water 中的溶解度为2300ppm。']
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Melting_Point:
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104-106 °C(lit.)
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|
PSA:
|
98.18000
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Flash_Point:
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126.3±22.6 °C
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|
Refractive_Index:
|
1.601
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3176 ', '2 . Molar volume 927 ', '3 . Parachor （902K）2694 ', '4 . Surface tension 711 ', '5 . Polarizability 1259']
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Computational_Chemistry:
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['1. XlogP :17 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 982 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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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|
FW:
|
130.191
|
|
LogP:
|
0.80
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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