3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid
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![3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/406245183fd44c6aab73fd2c4a08577d.png "3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid")
3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid
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CAS No:
62939-04-2
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Formula:
C16H15N3O4S2
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Chemical Name:
3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid
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Synonyms:
N-[4-(4-nitroanilino)-phenyl]-dithiocarbamic acid-(2-carboxyethyl)-ester; N-<4-(4-Nitroanilino)-phenyl>-dithiocarbaminsaeure-(2-carboxyethyl)-ester; Cgp-8065; Propanoic acid,3-((((4-((4-nitrophenyl)amino)phenyl)amino)thioxomethyl)thio);
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CAS No:
3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid Basic Attributes
377.43800
377.05039832
DTXSID80212144
Computed Properties
Molecular Weight:377.4
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:377.05039832
Monoisotopic Mass:377.05039832
Topological Polar Surface Area:165
Heavy Atom Count:25
Complexity:471
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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