FT-0610951 CAS:18781-31-2 chemical structure

2-ACETYL-3-METHYLBENZO[B]THIOPHENE

Name: 2-ACETYL-3-METHYLBENZO[B]THIOPHENE
Rating: 4.5 (11 reviews)

Catalog No: FT-0610951

CAS No: 18781-31-2

Molecular Formula: 190.26
Formula Weight: C11H10OS
Inchl Key: IECBOYOESKNHPD-UHFFFAOYSA-N
Inchl: InChI=1S/C11H10OS/c1-7-6-13-11-5-9(8(2)12)3-4-10(7)11/h3-6H,1-2H3

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:	79-80°C
CAS:	18781-31-2
MF:	C11H10OS
Flash_Point:	129-131°C/0.5mm
Product_Name:	1-(3-methyl-1-benzothiophen-2-yl)ethanone
Density:	1.182 g/cm3
FW:	190.26100
Bolling_Point:	129-131°C 0,5mm

Refractive_Index:	1.631
Vapor_Pressure:	0.000337mmHg at 25°C
Flash_Point:	129-131°C/0.5mm
LogP:	3.41230
Bolling_Point:	129-131°C 0,5mm
PSA:	45.31000
Molecular_Structure:	['1 . Molar refractive index 5733 ', '2 . Molar volume （m3/mol）1608 ', '3 . Parachor （902K）4170 ', '4 . Surface tension 452 ', '5 . Polarizability 2272']
Computational_Chemistry:	['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 453 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :214 ', '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:	79-80°C
MF:	C11H10OS
Exact_Mass:	190.04500
FW:	190.26100
Density:	1.182 g/cm3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）79-80 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,005mmHg）129-131 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC,05mmHg）129-131 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']