2-Acetylbenzothiophene - CAS 22720-75-8

Catalog:	BB017721
Product Name:	2-Acetylbenzothiophene
CAS:	22720-75-8
Synonyms:	1-(1-benzothiophen-2-yl)ethanone; 1-(1-benzothiophen-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(1-benzothiophen-2-yl)ethanone
Description:	A novel anti-osteoporosis agent, by enhansing expression of the BMP-2 gene.
Molecular Weight:	176.23
Molecular Formula:	C10H8OS
Canonical SMILES:	CC(=O)C1=CC2=CC=CC=C2S1
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
Boiling Point:	304.5 °C at 760 mmHg
Density:	1.219 g/cm³
MDL:	MFCD00090217
LogP:	3.10390

Publication Number	Title	Priority Date
CN-110615771-A	Method for directly synthesizing furazan oxide from methyl ketone	20191114
WO-2021095091-A1	Aminoaryl derivative, intermediate of same, method for producing said aminoaryl derivative, and method for producing said intermediate	20191111
CN-109400518-B	Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof	20181121
CN-108997329-B	Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof	20180825
WO-2020030143-A1	Ketoamide compound and preparation method, pharmaceutical composition, and use thereof	20180809

PMID	Publication Date	Title	Journal
22058789	20111001	(E)-2-[1-(1-Benzothio-phen-2-yl)ethyl-idene]-N-phenyl-hydrazinecarboxamide	Acta crystallographica. Section E, Structure reports online
20659109	20100301	Fragment-based screen against HIV protease	Chemical biology & drug design
20088515	20100225	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
19524435	20090801	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
21581636	20081220	1-Benzothio-phene-2-carbaldehyde 4-ethyl-thio-semicarbazone	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.02958605
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3