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Home Other Building Blocks 2-Acetylbenzothiophene

2-Acetylbenzothiophene

CAS No.:
22720-75-8
Catalog Number:
AG003GBD
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG003GBD
Chemical Name:
2-Acetylbenzothiophene
CAS Number:
22720-75-8
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
MDL Number:
MFCD00090217
IUPAC Name:
1-(1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChI Key:
SGSGCQGCVKWRNM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(s1)cccc2
EC Number:
245-177-7
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
(E)-2-[1-(1-Benzothio-phen-2-yl)ethyl-idene]-N-phenyl-hydrazinecarboxamide. Acta crystallographica. Section E, Structure reports online 20111001
Fragment-based screen against HIV protease. Chemical biology & drug design 20100301
Substituted benzothiophene or benzofuran derivatives as a novel class of bone morphogenetic protein-2 up-regulators: synthesis, structure-activity relationships, and preventive bone loss efficacies in senescence accelerated mice (SAMP6) and ovariectomized rats. Journal of medicinal chemistry 20100225
Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor. Bioorganic & medicinal chemistry letters 20090801
1-Benzothio-phene-2-carbaldehyde 4-ethyl-thio-semicarbazone. Acta crystallographica. Section E, Structure reports online 20090101
(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate. Acta crystallographica. Section E, Structure reports online 20080601
In vitro metabolism of 2-acetylbenzothiophene: relevance to zileuton hepatotoxicity. Chemical research in toxicology 20040201
Properties