3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole - CAS 887338-40-1

Catalog:	BB039163
Product Name:	3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole
CAS:	887338-40-1
Synonyms:	3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole; 3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole
Description:	3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole (CAS# 887338-40-1 ) is a useful research chemical.
Molecular Weight:	364.26
Molecular Formula:	C16H14BrNO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=CC=C3)C)Br
InChI:	InChI=1S/C16H14BrNO2S/c1-11-6-8-13(9-7-11)21(19,20)18-10-15(17)14-5-3-4-12(2)16(14)18/h3-10H,1-2H3
InChI Key:	DVIYUHTVTCSRJG-UHFFFAOYSA-N
LogP:	5.33840

Publication Number	Title	Priority Date
US-2009074738-A1	1-substituted-3-beta-d-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same	20041118
US-7750145-B2	1-substituted-3-Î²-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same	20041118

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Related Functional Groups

Indoles

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Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate

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Complexity:	467
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	362.99286
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	362.99286
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6