Chemical Name: 2-(phenylsulfanylmethyl)benzoic acid
Molecular Formula: C14H12O2S
Molecular Weight: 244.31
InChI Key: QXPRAGVOCILNHG-UHFFFAOYSA-N
InChI: InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)

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

Melting_Point:	109-113ºC
FW:	244.30900
CAS:	1699-03-2
MF:	C14H12O2S
Flash_Point:	206ºC
Product_Name:	2-phenylthiomethylbenzoic acid
Bolling_Point:	417ºC at 760mmHg
Density:	1.27g/cm3

FW:	244.30900
Vapor_Pressure:	1.06E-07mmHg at 25°C
Flash_Point:	206ºC
LogP:	3.67710
Bolling_Point:	417ºC at 760mmHg
More_Info:	['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）109-113 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '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']
Computational_Chemistry:	['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 626 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :249 ', '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:	109-113ºC
MF:	C14H12O2S
Exact_Mass:	244.05600
Molecular_Structure:	['1 . Molar refractive index 7038 ', '2 . Molar volume （m3/mol）1914 ', '3 . Parachor （902K）5303 ', '4 . Surface tension 589 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability （10 -24cm 3）2790']
Density:	1.27g/cm3
PSA:	62.60000