2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid
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2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid
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CAS No:
6339-60-2
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Formula:
C6H7N3O4S
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Chemical Name:
2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid
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Synonyms:
NSC38081;6339-60-2;[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid;NSC-38081;2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid;NCIStruc1_000364;NCIStruc2_000338;Oprea1_079803;Oprea1_866636;CHEMBL1399135;SCHEMBL13401778;SCHEMBL17229239;DTXSID50284631;NCI38081;ZINC3953954;CCG-37930;NCGC00013441;STK066887;AKOS000506438;MCULE-8706601269;NCGC00013441-02;NCGC00096556-01;NCI60_003608;DS-003335;ST4139654;2-(1-methyl-4-nitroimidazol-5-ylthio)acetic acid;Acetic acid, (1-methyl-4-nitro-5-imidazolylthio)-;2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylacetic acid;2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetic acid;Acetic acid (8CI), [(1-methyl-4-nitroimidazol-5-yl)thio]-;Acetic acid (9CI), [(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-;((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)acetic acid
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CAS No:
2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid Basic Attributes
217.21 g/mol
217.01572689 g/mol
38081
DTXSID50284631
Computed Properties
Molecular Weight:217.21
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:217.01572689
Monoisotopic Mass:217.01572689
Topological Polar Surface Area:126
Heavy Atom Count:14
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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