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Methyl N,N'-di(5-nitrothien-3-ylcarbonyl)-imidothiocarbamate
SpectraBase Compound ID KRw2ATYzQVc
InChI InChI=1S/C12H8N4O6S3/c1-23-12(13-10(17)6-2-8(15(19)20)24-4-6)14-11(18)7-3-9(16(21)22)25-5-7/h2-5H,1H3,(H,13,14,17,18)
InChIKey DZQDANRQXFOKFY-UHFFFAOYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C12H8N4O6S3
Exact Mass 399.960598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32IbfnFrH4E
Name Methyl N,N'-di(5-nitrothien-3-ylcarbonyl)-imidothiocarbamate
Comments Less than 3 mono-isotopic peaks
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Formula C12H8N4O6S3
InChI InChI=1S/C12H8N4O6S3/c1-23-12(13-10(17)6-2-8(15(19)20)24-4-6)14-11(18)7-3-9(16(21)22)25-5-7/h2-5H,1H3,(H,13,14,17,18)
InChIKey DZQDANRQXFOKFY-UHFFFAOYSA-N
Molecular Weight 400.398 g/mol
SMILES N(\C(=N\C(c1cc(N(=O)=O)sc1)=O)SC)C(c1cc(N(=O)=O)sc1)=O
SPLASH splash10-03di-0900000000-8cd35e2b2191f4fb94a1
Source of Spectrum F2-46-271-4a
Synonyms N,N'-bis[(5-nitro-3-thiophenyl)-oxomethyl]carbamimidothioic acid methyl ester methyl N,N'-bis(5-nitrothiophene-3-carbonyl)carbamimidothioate N-[C-methylsulfanyl-N-(5-nitrothiophene-3-carbonyl)carbonimidoyl]-5-nitro-thiophene-3-carboxamide methyl N,N'-bis[(5-nitrothiophen-3-yl)carbonyl]carbamimidothioate
Wiley ID 1689911