2-Thioxanthine

Catalog No: FT-0621159

CAS No: 2487-40-3

Chemical Name: 2-Thioxanthine
Molecular Formula: C5H4N4OS
Molecular Weight: 168.18
InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N
InChI: InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

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

Melting_Point:	>300°C
CAS:	2487-40-3
MF:	C5H4N4OS
Flash_Point:	N/A
Product_Name:	2-Thioxanthine
Density:	1.78g/cm3
FW:	168.17600
Bolling_Point:	N/A

Refractive_Index:	2.019
LogP:	0.30880
PSA:	109.42000
Molecular_Structure:	['1 . Molar refractive index 4087 ', '2 . Molar volume （m3/mol）807 ', '3 . Parachor （902K）2513 ', '4 . Surface tension 939 ', '5 . Polarizability （10 -24cm 3）1620']
Computational_Chemistry:	['1 . XlogP -01 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 15 ', '6 . TPSA 698 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 219 ', '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
MF:	C5H4N4OS
Exact_Mass:	168.01100
FW:	168.17600
Density:	1.78g/cm3
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）>300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 0ºC）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']