3-(Methylsulfonyl)indole - CAS 582321-06-0

Catalog:	BB029974
Product Name:	3-(Methylsulfonyl)indole
CAS:	582321-06-0
Synonyms:	3-methylsulfonyl-1H-indole; 3-methylsulfonyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	3-methylsulfonyl-1H-indole
Description:	3-(Methylsulfonyl)indole (CAS# 582321-06-0) is a useful research chemical.
Molecular Weight:	195.24
Molecular Formula:	C9H9NO2S
Canonical SMILES:	CS(=O)(=O)C1=CNC2=CC=CC=C21
InChI:	InChI=1S/C9H9NO2S/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChI Key:	LURCQPDCRKARFF-UHFFFAOYSA-N
LogP:	2.65220

Publication Number	Title	Priority Date
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
CN-109328059-A	The selective depressant of the important mutant of clinic of EGFR tyrosine kinase	20160107
EP-3399968-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20160107
JP-2019501222-A	Selective inhibitors of clinically important variants of EGFR tyrosine kinase	20160107
KR-20180105161-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20160107

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Complexity:	281
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:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0353997
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8