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S-HYDROXYMETHYL THIOBENZOATE

Catalog No: FT-0638362

CAS No: 23853-33-0

Chemical Name: S-HYDROXYMETHYL THIOBENZOATE
Molecular Formula: C8H8O2S
Molecular Weight: 168.21
InChI Key: MNTZJQAAOYSCMM-UHFFFAOYSA-N
InChI: InChI=1S/C8H8O2S/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

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:	45-46ºC
CAS:	23853-33-0
MF:	C8H8O2S
Flash_Point:	112.2ºC
Product_Name:	S-Hydroxymethyl thiobenzoate,
Density:	1.27g/cm3
FW:	168.21300
Bolling_Point:	261.8ºC at 760mmHg

Refractive_Index:	1.608
Vapor_Pressure:	0.00571mmHg at 25°C
Flash_Point:	112.2ºC
LogP:	1.50980
Bolling_Point:	261.8ºC at 760mmHg
PSA:	62.60000
Molecular_Structure:	['1 . Molar refractive index 4581 ', '2 . Molar volume （m3/mol）1324 ', '3 . Parachor （902K）3598 ', '4 . Surface tension 545 ', '5 . Polarizability （10 -24cm 3）1816']
Computational_Chemistry:	['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 130 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	45-46ºC
MF:	C8H8O2S
Exact_Mass:	168.02500
FW:	168.21300
Density:	1.27g/cm3
More_Info:	['1 . Appearance White or 粉红色粉末，恶臭 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-48 ', '5 . Boiling point（ºC,25mmhg）Unknow ', '6 . Boiling point（ºC,52kPa）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,20ºC）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']