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Benzyl-4,6-dimethyl-pyrimidine-2-thio formate

Catalog No: FT-0639762

CAS No: 42116-21-2

Chemical Name: Benzyl-4,6-dimethyl-pyrimidine-2-thio formate
Molecular Formula: C14H14N2O2S
Molecular Weight: 274.34
InChI Key: DGAUFTRWMCEXLW-UHFFFAOYSA-N
InChI: InChI=1S/C14H14N2O2S/c1-10-8-11(2)16-13(15-10)19-14(17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3

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

Product_Name:	benzyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
Flash_Point:	229.1±31.5 °C
Melting_Point:	60-66 °C
FW:	274.338
Density:	1.3±0.1 g/cm3
CAS:	42116-21-2
Bolling_Point:	455.2±55.0 °C at 760 mmHg
MF:	C14H14N2O2S

Molecular_Structure:	['1 . Molar refractive index 7543 ', '2 . Molar volume （m3/mol）2180 ', '3 . Parachor （902K）6031 ', '4 . Surface tension 585 ', '5 . Polarizability （10 -24cm 3）2990']
Flash_Point:	229.1±31.5 °C
Refractive_Index:	1.608
FW:	274.338
Density:	1.3±0.1 g/cm3
Bolling_Point:	455.2±55.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 774 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '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']
LogP:	3.50
Melting_Point:	60-66 °C
PSA:	77.38000
MF:	C14H14N2O2S
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）60-66 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Vapor_Pressure:	0.0±1.1 mmHg at 25°C
Exact_Mass:	274.077606