Refractive_Index:
|
1.562
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Vapor_Pressure:
|
0.5±0.4 mmHg at 25°C
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Flash_Point:
|
69.5±25.4 °C
|
LogP:
|
0.12
|
Bolling_Point:
|
191.3±33.0 °C at 760 mmHg
|
Water_Solubility:
|
67 g/L (20 ºC)
|
PSA:
|
70.14000
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3472 ', '2 . Molar volume 1071 ', '3 . Parachor (902K)2838 ', '4 . Surface tension 492 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1376']
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Computational_Chemistry:
|
['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 701 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :798 ', '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']
|
Melting_Point:
|
70-72 °C(lit.)
|
MF:
|
C4H8N2S
|
Exact_Mass:
|
116.040817
|
FW:
|
116.185
|
Density:
|
1.1±0.1 g/cm3
|
More_Info:
|
['1 . Appearance White 结晶。微有大蒜臭。 ', '2 . Density(g/mL,25/4℃) 122 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)76-7805 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '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 Soluble in Water and Ethanol ,微Soluble in Ethyl ether ,Insoluble in 苯。']
|