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5-[2-(Methylthio)phenyl]-1H-pyrrole-3-carbaldehyde

5-[2-(Methylthio)phenyl]-1H-pyrrole-3-carbaldehyde - CAS 928324-87-2

Catalog:	BB040665
Product Name:	5-[2-(Methylthio)phenyl]-1H-pyrrole-3-carbaldehyde
CAS:	928324-87-2
Synonyms:	5-[2-(methylthio)phenyl]-1H-pyrrole-3-carboxaldehyde; 5-(2-methylsulfanylphenyl)-1H-pyrrole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(2-methylsulfanylphenyl)-1H-pyrrole-3-carbaldehyde
Description:	5-[2-(Methylthio)phenyl]-1H-pyrrole-3-carbaldehyde (CAS# 928324-87-2 ) is a useful research chemical.
Molecular Weight:	217.29
Molecular Formula:	C12H11NOS
Canonical SMILES:	CSC1=CC=CC=C1C2=CC(=CN2)C=O
InChI:	InChI=1S/C12H11NOS/c1-15-12-5-3-2-4-10(12)11-6-9(8-14)7-13-11/h2-8,13H,1H3
InChI Key:	JDDSIGXNGCMHMU-UHFFFAOYSA-N
LogP:	3.21610

Publication Number	Title	Priority Date
AU-2006285641-A1	1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-A1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-B2	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-C1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2015268744-A1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830

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Carbonyl Compounds

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.05613515
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.05613515
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3