Methyl 5-Phenylthiophene-2-carboxylate - CAS 14597-62-7

Catalog:	BB010025
Product Name:	Methyl 5-Phenylthiophene-2-carboxylate
CAS:	14597-62-7
Synonyms:	5-phenyl-2-thiophenecarboxylic acid methyl ester; methyl 5-phenylthiophene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-phenylthiophene-2-carboxylate
Description:	Methyl 5-Phenylthiophene-2-carboxylate (CAS# 14597-62-7 ) is a useful research chemical.
Molecular Weight:	218.27
Molecular Formula:	C12H10O2S
Canonical SMILES:	COC(=O)C1=CC=C(S1)C2=CC=CC=C2
InChI:	InChI=1S/C12H10O2S/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:	UTTYIXTVWNXIDC-UHFFFAOYSA-N
LogP:	3.20170

Publication Number	Title	Priority Date
US-2012238569-A1	Thiazole and thiophene compounds	20110316
US-8404859-B2	Thiazole and thiophene compounds	20110316
WO-2012123471-A1	Thiazole and thiophene compounds	20110316
TW-201247656-A	2,3,5-trisubstituted thiophene compounds and uses thereof	20101215
TW-201215604-A	Compounds and methods for the treatment or prevention of flavivirus infections	20100628

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.04015073
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.04015073
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5