5-Phenylthiophene-2-carboxylic Acid - CAS 19163-24-7

Catalog:	BB014831
Product Name:	5-Phenylthiophene-2-carboxylic Acid
CAS:	19163-24-7
Synonyms:	5-phenyl-2-thiophenecarboxylic acid; 5-phenylthiophene-2-carboxylic acid

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Computed Properties

IUPAC Name:	5-phenylthiophene-2-carboxylic acid
Description:	5-Phenylthiophene-2-carboxylic Acid (CAS# 19163-24-7) is a useful research chemical.
Molecular Weight:	204.25
Molecular Formula:	C11H8O2S
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(S2)C(=O)O
InChI:	InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:	QGMFBCDNJUZQBZ-UHFFFAOYSA-N
LogP:	3.11330

Publication Number	Title	Priority Date
WO-2021050556-A1	Compositions and methods for inhibiting ribosome inactivating proteins	20190909
EP-3801504-A1	Selective ligands for modulation of girk channels	20180611
US-2020039963-A1	Prc1 inhibitors and methods of treatment therewith	20180607
US-10188910-B2	Golf ball	20161104
US-2018126226-A1	Golf ball	20161104

PMID	Publication Date	Title	Journal
22734707	20120901	Chemometric modeling of 5-Phenylthiophenecarboxylic acid derivatives as anti-rheumatic agents	Current computer-aided drug design
14556788	20031103	Synthesis and structure-activity relationships of 5-phenylthiophenecarboxylic acid derivatives as antirheumatic agents	Bioorganic & medicinal chemistry

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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:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.02450067
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.02450067
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1