dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
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![dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9ff0a5a6caa040d38d1bbe363a822ad9.png "dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate")
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
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CAS No:
831229-99-3
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Formula:
C16H21N3O4S
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Chemical Name:
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
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Synonyms:
2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester;Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate;MLS000664789;CHEMBL1359892;CHEBI:116971;HMS2736M18;ZINC2196351;STK741871;AKOS001761420;MCULE-8426725718;SMR000296243;Q27203590;dimethyl 2-{[(4-methyl-1-piperazinyl)carbonothioyl]amino}terephthalate;dimethyl 2-{[(4-methylpiperazin-1-yl)carbonothioyl]amino}terephthalate;dimethyl 2-{[(4-methylpiperazin-1-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate;831229-99-3
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CAS No:
Description
2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester is a phthalate ester.
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Basic Attributes
351.4 g/mol
351.12527733 g/mol
Computed Properties
Molecular Weight:351.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:351.12527733
Monoisotopic Mass:351.12527733
Topological Polar Surface Area:103
Heavy Atom Count:24
Complexity:480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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