Tiagabine

Catalog No: FT-0631075

CAS No: 115103-54-3

Chemical Name: Tiagabine
Molecular Formula: C20H25NO2S2
Molecular Weight: 375.6 g/mol
InChI Key: PBJUNZJWGZTSKL-MRXNPFEDSA-N
InChI: InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/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

Molecular_Structure:	['1 . Molar refractive index 10697 ', '2 . Molar volume 3106 ', '3 . Parachor （902K）8253 ', '4 . Surface tension 498 ', '5 . Polarizability 4240']
Flash_Point:	297.3ºC
Refractive_Index:	1.604
FW:	412.009
Density:	1.208 g/cm3
Bolling_Point:	568ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 97 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :474 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	5.78470
Melting_Point:	192oC dec.
PSA:	97.02000
MF:	C20H26ClNO2S2
Vapor_Pressure:	9.71E-14mmHg at 25°C
Exact_Mass:	411.109344