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 Google Search
Mol Weight	255.31 g/mol
Molecular Formula	C9H9N3O2S2
Exact Mass	255.013619 g/mol

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SpectraBase Spectrum ID	5ooTk4wMzMF
Name	Methyl 3-[3'-(cyanomethyl)thioureido]thiophene-2-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	methyl 3-({[(cyanomethyl)amino]carbothioyl}amino)-2-thiophenecarboxylate 3-[[(cyanomethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate
Wiley ID	848419