3-(Thiophene-2-carboxamido)benzoic Acid - CAS 24341-72-8

Catalog:	BB018422
Product Name:	3-(Thiophene-2-carboxamido)benzoic Acid
CAS:	24341-72-8
Synonyms:	3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid; 3-(thiophene-2-carbonylamino)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(thiophene-2-carbonylamino)benzoic acid
Description:	3-(Thiophene-2-carboxamido)benzoic Acid (CAS# 24341-72-8) is a useful research chemical.
Molecular Weight:	247.27
Molecular Formula:	C12H9NO3S
Canonical SMILES:	C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)O
InChI:	InChI=1S/C12H9NO3S/c14-11(10-5-2-6-17-10)13-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChI Key:	JFACUNXDFKLILL-UHFFFAOYSA-N
Boiling Point:	360.9 °C at 760 mmHg
Density:	1.451 g/cm³
LogP:	2.77160

Publication Number	Title	Priority Date
CN-110627767-A	Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190905
CN-110627767-B	Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190905
WO-2021042410-A1	Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method therefor and application thereof	20190905
TW-492966-B	Thienylsulfonamides and derivatives thereof that modulate the activity of endothelin	19950404
EP-0069664-A1	Aminobenzamides, their salts, process for their preparation and pharmaceutical compositions containing them	19810708

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Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.03031432
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	247.03031432
Rotatable Bond Count:	3
Topological Polar Surface Area:	94.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3