3-(Methylsulfonyl)-1H-pyrrole - CAS 82511-59-9

Catalog:	BB036848
Product Name:	3-(Methylsulfonyl)-1H-pyrrole
CAS:	82511-59-9
Synonyms:	3-methylsulfonyl-1H-pyrrole; 3-methylsulfonyl-1H-pyrrole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methylsulfonyl-1H-pyrrole
Description:	3-(Methylsulfonyl)-1H-pyrrole (CAS# 82511-59-9 ) is a useful research chemical.
Molecular Weight:	145.18
Molecular Formula:	C5H7NO2S
Canonical SMILES:	CS(=O)(=O)C1=CNC=C1
InChI:	InChI=1S/C5H7NO2S/c1-9(7,8)5-2-3-6-4-5/h2-4,6H,1H3
InChI Key:	CTMWDRVOGLRNOH-UHFFFAOYSA-N
LogP:	1.49900

Publication Number	Title	Priority Date
CN-108699037-A	Noval chemical compound for treating fibrosis and its pharmaceutical composition	20160304
CN-108430977-A	Phenylimidazole compounds	20151225
AU-2016333855-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009
CA-3001094-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009
EP-3359539-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009

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Sulfur Compounds

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.01974964
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.01974964
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1