FT-0608557 CAS:1505-52-8 chemical structure

3-METHYLTHIANAPHTHENE-2-ACETIC ACID

Catalog No: FT-0608557

CAS No: 1505-52-8

Molecular Formula: 205.25
Formula Weight: C11H9O2S-
Inchl Key: MFVMWBIORCNCNB-UHFFFAOYSA-M
Inchl: InChI=1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13)/p-1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	148-150°C
CAS:	1505-52-8
MF:	C11H10O2S
Flash_Point:	190.8ºC
Product_Name:	2-(3-methyl-1-benzothiophen-2-yl)acetic acid
Density:	1.315g/cm3
FW:	206.26100
Bolling_Point:	391.8ºC at 760mmHg

Vapor_Pressure:	7.65E-07mmHg at 25°C
Flash_Point:	190.8ºC
LogP:	2.83680
Bolling_Point:	391.8ºC at 760mmHg
FW:	206.26100
PSA:	65.54000
Computational_Chemistry:	['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 401 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area -1 ', '8 . Complexity 224 ', '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:	148-150°C
MF:	C11H10O2S
Exact_Mass:	206.04000
Molecular_Structure:	['1 . Molar refractive index 5841 ', '2 . Molar volume （m3/mol）1567 ', '3 . Parachor （902K）4303 ', '4 . Surface tension : 567 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2315']
Density:	1.315g/cm3
More_Info:	['1 . Appearance Solid 。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）148-150 ', '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']