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PHENYLTHIOHYDANTOIN-(NEPSILON-PHENYLTHIOCARBAMYL)-LYSINE

Catalog No: FT-0638870

CAS No: 29635-94-7

Chemical Name: PHENYLTHIOHYDANTOIN-(NEPSILON-PHENYLTHIOCARBAMYL)-LYSINE
Molecular Formula: C20H22N4OS2
Molecular Weight: 398.5
InChI Key: BUPYRERCBPFRFM-KRWDZBQOSA-N
InChI: InChI=1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)/t17-/m0/s1

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:	Phenylthiohydantoin-(Nepsilon-Phenylthiocarbamyl)-Lysine
Flash_Point:	N/A
Melting_Point:	165ºC
FW:	398.54500
Density:	1.33g/cm3
CAS:	29635-94-7
Bolling_Point:	530.8ºC at 760 mmHg
MF:	C20H22N4OS2

Refractive_Index:	1.7
FW:	398.54500
Density:	1.33g/cm3
Bolling_Point:	530.8ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :12 ', '6. TPSA 121 ', '7. Heavy Atom Count :27 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :530 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	4.29090
Melting_Point:	165ºC
PSA:	120.58000
MF:	C20H22N4OS2
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）165 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,25ºC）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']
Vapor_Pressure:	2.38E-11mmHg at 25°C
Exact_Mass:	398.12400