2-MERCAPTO-4(3H)-QUINAZOLINONE


Catalog No:   FT-0636978

CAS No:   13906-09-7

  • Molecular Formula:  178.21
  • Formula Weight: C8H6N2OS
  • Inchl Key: PUPFOFVEHDNUJU-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: >300 °C(lit.)
CAS: 13906-09-7
MF: C8H6N2OS
Flash_Point: 153.7ºC
Product_Name: 2-sulfanylidene-1H-quinazolin-4-one
Density: 1.46g/cm3
FW: 178.21100
Bolling_Point: 330.5ºC at 760mmHg
Refractive_Index: 1.728
Vapor_Pressure: 0.000165mmHg at 25°C
Flash_Point: 153.7ºC
LogP: 1.21180
Bolling_Point: 330.5ºC at 760mmHg
FW: 178.21100
PSA: 84.55000
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :12 ', '6. TPSA 732 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :229 ', '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: >300 °C(lit.)
MF: C8H6N2OS
Exact_Mass: 178.02000
Molecular_Structure: ['1 . Molar refractive index 4859 ', '2 . Molar volume (m3/mol)1196 ', '3 . Parachor (902K)3276 ', '4 . Surface tension 562 ', '5 . Polarizability 1926']
Density: 1.46g/cm3
More_Info: ['1 . Appearance Yellow 粉末 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '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 Unknow']
Safety_Statements: S26-S37/39
Hazard_Codes: Xi: Irritant;
HS_Code: 2933990090
Risk_Statements(EU): 36/37/38
WGK_Germany: 3

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