4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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![4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8eab04ab8e6418f82382693f35a3abc.png "4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid")
4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
31994-53-3
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Formula:
C22H21N3O4S2
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Chemical Name:
4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-;Benzenesulfonic acid,p-[4-[2-(3-ethyl-2-benzothiazolinylidene)-1-methylethylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]-;4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid;4-[(3-Ethyl-2-benzothiazolinylidene)isopropylidene]-3-methyl-1-(p-sulfophenyl)-2-pyrazolin-5-one;NK 1812
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CAS No:
4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid Basic Attributes
455.54984
455.55
250-885-4
DTXSID8067652
4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid Use and Manufacturing
Benzenesulfonic acid, 4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-: ACTIVE
Computed Properties
Molecular Weight:455.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:455.09734851
Monoisotopic Mass:455.09734851
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:927
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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