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Methyl 3-[3'-(cyanomethyl)thioureido]thiophene-2-carboxylate
SpectraBase Compound ID J66fSx3LVLN
InChI InChI=1S/C9H9N3O2S2/c1-14-8(13)7-6(2-5-16-7)12-9(15)11-4-3-10/h2,5H,4H2,1H3,(H2,11,12,15)
InChIKey YBDMLOSLCJLZTH-UHFFFAOYSA-N
Mol Weight 255.31 g/mol
Molecular Formula C9H9N3O2S2
Exact Mass 255.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ooTk4wMzMF
Name Methyl 3-[3'-(cyanomethyl)thioureido]thiophene-2-carboxylate
Alternate Name(s) methyl 3-({[(cyanomethyl)amino]carbothioyl}amino)-2-thiophenecarboxylate 3-[[(cyanomethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C9H9N3O2S2
InChI InChI=1S/C9H9N3O2S2/c1-14-8(13)7-6(2-5-16-7)12-9(15)11-4-3-10/h2,5H,4H2,1H3,(H2,11,12,15)
InChIKey YBDMLOSLCJLZTH-UHFFFAOYSA-N
Molecular Weight 255.310 g/mol
SMILES N(c1c(C(=O)OC)scc1)C(=S)NCC#N
SPLASH splash10-05fr-0090000000-1ff3f4f1c245ed3daf85
Source of Spectrum Y-38-423-7
Wiley ID 848419