Ethyl 3-thiopheneacetate - CAS 37784-63-7

Catalog:	BB023418
Product Name:	Ethyl 3-thiopheneacetate
CAS:	37784-63-7
Synonyms:	ethyl 2-thiophen-3-ylacetate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 2-thiophen-3-ylacetate
Description:	Ethyl 3-thiopheneacetate (CAS# 37784-63-7) is a reactant in the synthesis of optical chemosensors for Hg2= and in the synthesis of β-substituted 3,4-ethylenedioxy terthiophene monomers for conducting polymer applications.
Molecular Weight:	170.23
Molecular Formula:	C8H10O2S
Canonical SMILES:	CCOC(=O)CC1=CSC=C1
InChI:	InChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
InChI Key:	FZBNQIWPYCUPAP-UHFFFAOYSA-N
Boiling Point:	229.4 °C at 760 mmHg
Density:	1.148 g/cm³
MDL:	MFCD00005472
LogP:	1.85370

Publication Number	Title	Priority Date
WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
WO-2020257429-A1	Ectonucleotidase inhibitors and methods of use thereof	20190620
CN-110498763-B	Method for separating components in mixture containing toluene, 2-methylthiophene and 3-methylthiophene	20180518
CN-107216445-B	Nano composite and preparation method and application thereof	20170503
EP-3589637-A1	Compounds useful for inhibiting ror-gamma-t	20170302

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Thiophenes

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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:	170.04015073
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.04015073
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8