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Catalog No: FT-0747060

CAS No: 128640-74-4

Chemical Name: 4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
Molecular Formula: C13H10ClN3S
Molecular Weight: 275.76 g/mol
InChI Key: ASPBFSRVAPVCDU-UHFFFAOYSA-N
InChI: InChI=1S/C13H10ClN3S/c1-8-3-5-9(6-4-8)11-10(7-15)12(14)17-13(16-11)18-2/h3-6H,1-2H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	475.2ºC at 760 mmHg
CAS:	128640-74-4
MF:	C13H10ClN3S
Density:	1.35g/cm3
Melting_Point:	N/A
Product_Name:	4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
Flash_Point:	241.2ºC
FW:	275.75700

MF:	C13H10ClN3S
Density:	1.35g/cm3
Computational_Chemistry:	['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 749 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :321 ', '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']
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL,20℃）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,KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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']
Exact_Mass:	275.02800
Vapor_Pressure:	3.39E-09mmHg at 25°C
Flash_Point:	241.2ºC
PSA:	74.87000
Molecular_Structure:	['1. Molar refractive index 7371 ', '2. Molar volume 2028 ', '3. Parachor （902K）5822 ', '4. Surface tension 679 ', '5. Dielectric constant N/A ', '6. Polarizability 2922 ', '7. Single isotope mass 275028395 Da ', '8. Nominal mass 275 Da ', '9. Average mass 2757566 Da']
LogP:	3.69898
Bolling_Point:	475.2ºC at 760 mmHg
FW:	275.75700
Refractive_Index:	1.646