2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE

Catalog No: FT-0636015

CAS No: 6179-05-1

Chemical Name: 2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE
Molecular Formula: C12H12OS
Molecular Weight: 204.29
InChI Key: BNHSEASQDNHGLK-UHFFFAOYSA-N
InChI: InChI=1S/C12H12OS/c1-7-4-5-11-10(6-7)8(2)12(14-11)9(3)13/h4-6H,1-3H3

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:	1-(3,5-dimethyl-1-benzothiophen-2-yl)ethanone
Bolling_Point:	334.5ºC at 760 mmHg
Density:	1.153g/cm3
MF:	C12H12OS
CAS:	6179-05-1
Melting_Point:	79-81ºC
Flash_Point:	156.1ºC
FW:	204.28800

MF:	C12H12OS
Bolling_Point:	334.5ºC at 760 mmHg
Exact_Mass:	204.06100
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）79-81 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，6mmHg）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（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']
Melting_Point:	79-81ºC
PSA:	45.31000
Flash_Point:	156.1ºC
Computational_Chemistry:	['1 . XlogP 37 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 239 ', '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']
Density:	1.153g/cm3
Molecular_Structure:	['1 . Molar refractive index 6215 ', '2 . Molar volume （m3/mol）1771 ', '3 . Parachor （902K）4547 ', '4 . Surface tension 434 ', '5 . Polarizability （10 -24cm 3）2464']
FW:	204.28800
LogP:	3.72070
Refractive_Index:	1.619