3-Methyl-2-thiophenecarboxylic acid - CAS 23806-24-8

Catalog:	BB018193
Product Name:	3-Methyl-2-thiophenecarboxylic acid
CAS:	23806-24-8
Synonyms:	3-methylthiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methylthiophene-2-carboxylic acid
Description:	3-Methyl-2-thiophenecarboxylic acid (CAS# 23806-24-8) is a useful research chemical.
Molecular Weight:	142.18
Molecular Formula:	C6H6O2S
Canonical SMILES:	CC1=C(SC=C1)C(=O)O
InChI:	InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:	IFLKEBSJTZGCJG-UHFFFAOYSA-N
Boiling Point:	274 °C at 760 mmHg
Density:	1.319 g/cm³
MDL:	MFCD00005438
LogP:	1.75470

Publication Number	Title	Priority Date
CN-112675663-A	Toluene tail gas treatment method	20201126
WO-2021138298-A1	Malt1 modulators and uses thereof	20191230
CN-111116638-A	Tricyclohexyltin 3-methylthiophene-2-formate complex, and preparation method and application thereof	20191226
CN-111138473-A	Tris (2-methyl-2-phenylpropyl) tin 3-methyl-thiophene-2-formate and preparation method and application thereof	20191226
JP-2021066951-A	Painted galvanized steel sheet	20191017

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
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Thiophenes

[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.00885060
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.00885060
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8