Methyl 3-Methylthiophene-2-carboxylate - CAS 81452-54-2

Catalog:	BB036653
Product Name:	Methyl 3-Methylthiophene-2-carboxylate
CAS:	81452-54-2
Synonyms:	3-methyl-2-thiophenecarboxylic acid methyl ester; methyl 3-methylthiophene-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 3-methylthiophene-2-carboxylate
Description:	Methyl 3-Methylthiophene-2-carboxylate (CAS# 81452-54-2) is a useful research chemical.
Molecular Weight:	156.20
Molecular Formula:	C7H8O2S
Canonical SMILES:	CC1=C(SC=C1)C(=O)OC
InChI:	InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChI Key:	BRWROFVPMUPMJQ-UHFFFAOYSA-N
Boiling Point:	216-217 °C
Density:	1.173 g/cm³
MDL:	MFCD00234332
LogP:	1.84310

Publication Number	Title	Priority Date
WO-2021138298-A1	Malt1 modulators and uses thereof	20191230
JP-2021066951-A	Painted galvanized steel sheet	20191017
CN-111792990-A	Unsaturated ketone compound, preparation method and application thereof	20190409
WO-2020046975-A1	Methods of treating neurodegenerative diseases	20180829
TW-202024020-A	Methods of treating neurodegenerative diseases	20180829

PMID	Publication Date	Title	Journal
17784956	20070904	Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides	Beilstein journal of organic chemistry

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.02450067
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.02450067
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2