1,4-PBIT DIHYDROBROMIDE

Catalog No: FT-0643537

CAS No: 157254-60-9

Chemical Name: 1,4-PBIT DIHYDROBROMIDE
Molecular Formula: C12H20Br2N4S2
Molecular Weight: 444.3
InChI Key: YRRYHMLYGVNPBW-UHFFFAOYSA-N
InChI: InChI=1S/C12H18N4S2.2BrH/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16;;/h1-4H,5-8H2,(H3,13,14)(H3,15,16);2*1H

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:	2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate,dihydrobromide
Flash_Point:	N/A
Melting_Point:	N/A
FW:	444.252
Density:	N/A
CAS:	157254-60-9
Bolling_Point:	N/A
MF:	C12H20Br2N4S2

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 150 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :247 ', '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 :3']
Molecular_Structure:	['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用 ', '5 . Polarizability 无可用']
LogP:	5.54120
FW:	444.252
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
PSA:	150.34000
MF:	C12H20Br2N4S2
Exact_Mass:	441.949585