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N-(4-Bromobenzylidene)-p-toluenesulfonamide

N-(4-Bromobenzylidene)-p-toluenesulfonamide - CAS 36176-90-6

Catalog:	BB022893
Product Name:	N-(4-Bromobenzylidene)-p-toluenesulfonamide
CAS:	36176-90-6
Synonyms:	N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
Description:	N-(4-Bromobenzylidene)-p-toluenesulfonamide (CAS# 36176-90-6 ) is a useful research chemical.
Molecular Weight:	338.22
Molecular Formula:	C14H12BrNO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)Br
InChI:	InChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChI Key:	PQUIUBJMRRZMDV-UHFFFAOYSA-N
LogP:	4.64610

Publication Number	Title	Priority Date
TW-202026283-A	Inhibiting fatty acid synthase (fasn)	20181010
US-2013102639-A1	Inhibitors of protein prenyltransferases	20080728
US-8815935-B2	Inhibitors of protein prenyltransferases	20080728
US-2010063114-A1	Inhibitors of protein prenyltransferases	20060322
US-8093274-B2	Inhibitors of protein prenyltransferases	20060322

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Related Functional Groups

Sulfur Compounds

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3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	336.97721
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	336.97721
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	3.8