Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate

Catalog No: FT-0632948

CAS No: 778-97-2

Chemical Name: Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
Molecular Formula: C9H13N3O2S
Molecular Weight: 227.29
InChI Key: ODFLPYCOQXPONS-UHFFFAOYSA-N
InChI: InChI=1S/C9H13N3O2S/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3,(H2,10,11,12)

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

Flash_Point:	183.1ºC
FW:	227.28300
Bolling_Point:	379.2ºC at 760mmHg
Product_Name:	ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate
CAS:	778-97-2
MF:	C9H13N3O2S
Melting_Point:	104-106°C
Density:	1.27g/cm3

PSA:	103.40000
Bolling_Point:	379.2ºC at 760mmHg
Molecular_Structure:	['1 . Molar refractive index 5898 ', '2 . Molar volume 1783 ', '3 . Parachor （902K）4991 ', '4 . Surface tension 613 ', '5 . Polarizability 2338']
LogP:	1.92870
More_Info:	['1 . Melting point（ºC）104~106']
Computational_Chemistry:	['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 103 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :216 ', '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']
MF:	C9H13N3O2S
Melting_Point:	104-106°C
Refractive_Index:	1.575
Flash_Point:	183.1ºC
FW:	227.28300
Exact_Mass:	227.07300
Density:	1.27g/cm3