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Ethyl 4H-Thieno[3,2-b]pyrrole-5-carboxylate

Ethyl 4H-Thieno[3,2-b]pyrrole-5-carboxylate - CAS 46193-76-4

Catalog:	BB026096
Product Name:	Ethyl 4H-Thieno[3,2-b]pyrrole-5-carboxylate
CAS:	46193-76-4
Synonyms:	4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester; ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Description:	Ethyl 4H-Thieno[3,2-b]pyrrole-5-carboxylate (CAS# 46193-76-4) is a useful research chemical.
Molecular Weight:	195.24
Molecular Formula:	C9H9NO2S
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=CS2
InChI:	InChI=1S/C9H9NO2S/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChI Key:	BLUDZFMRKHHPGZ-UHFFFAOYSA-N
Boiling Point:	345.7 °C at 760 mmHg
Density:	1.339 g/cm³
MDL:	MFCD03425800
LogP:	2.40610

Publication Number	Title	Priority Date
US-2021130373-A1	Compound and film and photoelectric diode and organic sensor and electronic device	20191104
EP-3816168-A1	Compound and film, photoelectric diode, organic sensor, and electronic device including the same	20191104
KR-20210053731-A	Compound and film and photoelectric diode and organic sensor and electronic device	20191104
EP-3668877-A1	Indole derivatives as histone demethylase inhibitors	20170818
WO-2019034774-A1	INDOLE DERIVATIVES AS HISTONE DEM ETHYLASE INHIBITORS	20170818

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0353997
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0353997
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4