Methyl Benzo[b]thiophene-2-carboxylate - CAS 22913-24-2

Catalog:	BB017811
Product Name:	Methyl Benzo[b]thiophene-2-carboxylate
CAS:	22913-24-2
Synonyms:	1-benzothiophene-2-carboxylic acid methyl ester; methyl 1-benzothiophene-2-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 1-benzothiophene-2-carboxylate
Description:	Methyl Benzo[b]thiophene-2-carboxylate (CAS# 22913-24-2) is a useful research chemical.
Molecular Weight:	192.23
Molecular Formula:	C10H8O2S
Canonical SMILES:	COC(=O)C1=CC2=CC=CC=C2S1
InChI:	InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChI Key:	KRRAZMUPVIGDCU-UHFFFAOYSA-N
Boiling Point:	304.6 °C at 760 mmHg
Density:	1.273 g/cm³
Appearance:	Solid
MDL:	MFCD00067791
LogP:	2.68790

Publication Number	Title	Priority Date
CN-111841896-A	Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof	20200806
WO-2020216298-A1	Hdac inhibitor, preparation method therefor and use thereof	20190425
CN-111792990-A	Unsaturated ketone compound, preparation method and application thereof	20190409
KR-20200075779-A	Resist composition and patterning process	20181218
CN-110869363-A	5-membered and bicyclic heterocyclic amides as ROCK inhibitors	20170712

PMID	Publication Date	Title	Journal
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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[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

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.02450067
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.02450067
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1