Refractive_Index:
|
1.639
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
Flash_Point:
|
158.6±22.3 °C
|
LogP:
|
2.18
|
Bolling_Point:
|
338.7±22.0 °C at 760 mmHg
|
PSA:
|
77.10000
|
Molecular_Structure:
|
['1. Molar refractive index 4343 ', '2. Molar volume 1207 ', '3. Parachor (902K)3522 ', '4. Surface tension 725 ', '5. Dielectric constant N/A ', '6. Polarizability 1721 ', '7. Single isotope mass 174997095 Da ', '8. Nominal mass 175 Da ', '9. Average mass 1756392 Da']
|
Computational_Chemistry:
|
['1. XlogP :17 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 771 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :113 ', '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:
|
130-132 °C(lit.)
|
MF:
|
C5H6ClN3S
|
Exact_Mass:
|
174.997101
|
FW:
|
175.639
|
Density:
|
1.5±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 灰White or 米Yellow 结晶性粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)130-132 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,014mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 Unknow']
|