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1-Benzothiophen-3(2H)-one 1,1-dioxide

Catalog No: FT-0690967

CAS No: 1127-35-1

Chemical Name: 1-Benzothiophen-3(2H)-one 1,1-dioxide
Molecular Formula: C8H6O3S
Molecular Weight: 182.2
InChI Key: LXCYNALXWGQUIK-UHFFFAOYSA-N
InChI: InChI=1S/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2

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:	N/A
CAS:	1127-35-1
MF:	C8H6O3S
Flash_Point:	294.2ºC
Product_Name:	Benzo[b]thiophene-3(2H)-one 1,1-Dioxide
Density:	1.498 g/cm3
FW:	182.19600
Bolling_Point:	424.6ºC

Refractive_Index:	1.623
Vapor_Pressure:	2.05E-07mmHg at 25°C
Flash_Point:	294.2ºC
LogP:	1.73740
Bolling_Point:	424.6ºC
FW:	182.19600
PSA:	59.59000
Computational_Chemistry:	['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 596 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :299 ', '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']
MF:	C8H6O3S
Exact_Mass:	182.00400
Molecular_Structure:	['1 . Molar refractive index 4289 ', '2 . Molar volume （m3/mol）1215 ', '3 . Parachor （902K）3372 ', '4 . Surface tension : 592 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1700']
Density:	1.498 g/cm3
More_Info:	['1 . Appearance White to 橙色结晶性粉末or 小块。 ', '2 . Density（g/mL,25℃）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,10mm）Unknow ', '7 . Refractive index（n 20/D ）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 Water : 几乎不溶 ', ' Ethanol : 可溶 ', ' 甲醇: 可溶']