Molecular Formula: 392.4
Formula Weight: C17H20N4O5S
Inchl Key: IWALGNIFYOBRKC-UHFFFAOYSA-N
Inchl: InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	>300ºC
CAS:	89073-57-4
MF:	C17H20N4O5S
Flash_Point:	N/A
Product_Name:	4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
Density:	1.405g/cm3
FW:	392.43000
Bolling_Point:	N/A

Refractive_Index:	1.607
LogP:	2.70080
PSA:	135.43000
Molecular_Structure:	['1 . Molar refractive index 9651 ', '2 . Molar volume （m3/mol）2791 ', '3 . Parachor (902K)7797 ', '4 表面张力(dyne/cm)608 ', '5 . Polarizability (10-24cm3)3826']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :4 ', '6. TPSA 132 ', '7. Heavy Atom Count :27 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :671 ', '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:	>300ºC
MF:	C17H20N4O5S
Exact_Mass:	392.11500
FW:	392.43000
Density:	1.405g/cm3
More_Info:	['1 . Appearance White Solid ', '2 . Density（g/mL25ºC）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（ºC20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（正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 H2O: 043 mg/mL']

RIDADR:	NONH for all modes of transport
Safety_Statements:	S22-S24/25
HS_Code:	2933990090
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter