2-MERCAPTO-4(3H)-QUINAZOLINONE

Name: 2-MERCAPTO-4(3H)-QUINAZOLINONE
Rating: 4.5 (11 reviews)

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
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']