2-(Methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

Catalog No: FT-0686805

CAS No: 89487-99-0

Chemical Name: 2-(Methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
Molecular Formula: C6H5N3OS
Molecular Weight: 167.19
InChI Key: XTLKENCFQIAAJK-UHFFFAOYSA-N
InChI: InChI=1S/C6H5N3OS/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,1H3,(H,8,9,10)

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:	4-Hydroxy-2-methylsulfanyl-pyrimidine-5-carbonitrile
Flash_Point:	184.5ºC
Melting_Point:	222-224ºC (isopropanol )
FW:	167.18800
Density:	1.42g/cm3
CAS:	89487-99-0
Bolling_Point:	381.5ºC at 760 mmHg
MF:	C6H5N3OS

Molecular_Structure:	['1 . Molar refractive index 4108 ', '2 . Molar volume 1132 ', '3 . Parachor （902K）3500 ', '4 . Surface tension 911 ', '5 . Polarizability 1628']
LogP:	0.77578
Flash_Point:	184.5ºC
Refractive_Index:	1.673
FW:	167.18800
Density:	1.42g/cm3
Bolling_Point:	381.5ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 906 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :296 ', '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:	222-224ºC (isopropanol )
PSA:	95.10000
MF:	C6H5N3OS
More_Info:	['1 . Melting point（ºC）210-212']
Exact_Mass:	167.01500