4H-Thieno[2,3-c]pyrrol-6(5H)-one - CAS 79472-22-3

Catalog:	BB036359
Product Name:	4H-Thieno[2,3-c]pyrrol-6(5H)-one
CAS:	79472-22-3
Synonyms:	4,5-dihydrothieno[2,3-c]pyrrol-6-one; 4,5-dihydrothieno[2,3-c]pyrrol-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-dihydrothieno[2,3-c]pyrrol-6-one
Description:	4H-Thieno[2,3-c]pyrrol-6(5H)-one (CAS# 79472-22-3 ) is a useful research chemical.
Molecular Weight:	139.18
Molecular Formula:	C6H5NOS
Canonical SMILES:	C1C2=C(C(=O)N1)SC=C2
InChI:	InChI=1S/C6H5NOS/c8-6-5-4(3-7-6)1-2-9-5/h1-2H,3H2,(H,7,8)
InChI Key:	GIQBMQFTAUFJAW-UHFFFAOYSA-N
LogP:	1.00190

Publication Number	Title	Priority Date
WO-2021201120-A1	Agent for treating inflammatory bowel disease, and amide compound or salt thereof	20200331
WO-2021201126-A1	Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor	20200331
WO-2021002473-A1	Nrf2-activating compound	20190703
WO-2020046975-A1	Methods of treating neurodegenerative diseases	20180829
WO-2019154329-A1	Compound having bet inhibitory activity and preparation method and use therefor	20180206

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.00918496
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.00918496
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8