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2-(2-(Phenylsulfonyl)ethylthio)nicotinic acid

Catalog No: FT-0678200

CAS No: 175203-21-1

Chemical Name: 2-(2-(Phenylsulfonyl)ethylthio)nicotinic acid
Molecular Formula: C14H13NO4S2
Molecular Weight: 323.4
InChI Key: LYXDTDBDUWKOQF-UHFFFAOYSA-N
InChI: InChI=1S/C14H13NO4S2/c16-14(17)12-7-4-8-15-13(12)20-9-10-21(18,19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)

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-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylic acid
Flash_Point:	304.9ºC
Melting_Point:	N/A
FW:	323.38700
Density:	1.46g/cm3
CAS:	175203-21-1
Bolling_Point:	580.5ºC at 760mmHg
MF:	C14H13NO4S2

LogP:	3.42660
Flash_Point:	304.9ºC
FW:	323.38700
Density:	1.46g/cm3
Bolling_Point:	580.5ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 118 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :440 ', '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']
PSA:	118.01000
MF:	C14H13NO4S2
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）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 05 mmHg）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（kPa,25ºC）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（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:	2.57E-14mmHg at 25°C
Exact_Mass:	323.02900