|
MF:
|
C8H7NS
|
|
Bolling_Point:
|
238.0±9.0 °C at 760 mmHg
|
|
Exact_Mass:
|
149.029922
|
|
More_Info:
|
['1 . Appearance 浅Yellow 结晶or Liquid ', '2 相对. Density1173 ', '3 折光率16170 ', '4 . Flash point（℃）102 ', '5 . Melting point（℃）14 ', '6 . Boiling point（ºC）238 ', '7 . Boiling point（ºC,20kpa）150~151']
|
|
Melting_Point:
|
11-14 °C(lit.)
|
|
PSA:
|
41.13000
|
|
Flash_Point:
|
102.2±0.0 °C
|
|
Refractive_Index:
|
1.663
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4539 ', '2 . Molar volume （m3/mol）1225 ', '3 . Parachor （902K）3260 ', '4 . Surface tension 501 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1799']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 411 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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:
|
149.213
|
|
LogP:
|
2.41
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
