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5-[2'-(2"-Thiosemicarbazido)acetamido]benzo[b]thiophene-2-carboxylic Acid
SpectraBase Compound ID F6tSEktPJet
InChI InChI=1S/C12H12N4O3S2/c13-12(20)16-14-5-10(17)15-7-1-2-8-6(3-7)4-9(21-8)11(18)19/h1-4,14H,5H2,(H,15,17)(H,18,19)(H3,13,16,20)
InChIKey KZPAQEUCYRDQGW-UHFFFAOYSA-N
Mol Weight 324.37 g/mol
Molecular Formula C12H12N4O3S2
Exact Mass 324.035083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r8V8acrIYB
Name 5-[2'-(2"-Thiosemicarbazido)acetamido]benzo[b]thiophene-2-carboxylic Acid
Alternate Name(s) 5-[[2-(carbamothioylhydrazo)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid 5-[[2-(2-carbamothioylhydrazinyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid 5-[[2-(2-carbamothioylhydrazino)acetyl]amino]benzothiophene-2-carboxylic acid 5-[2-(2-carbamothioylhydrazinyl)ethanoylamino]-1-benzothiophene-2-carboxylic acid
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Formula C12H12N4O3S2
InChI InChI=1S/C12H12N4O3S2/c13-12(20)16-14-5-10(17)15-7-1-2-8-6(3-7)4-9(21-8)11(18)19/h1-4,14H,5H2,(H,15,17)(H,18,19)(H3,13,16,20)
InChIKey KZPAQEUCYRDQGW-UHFFFAOYSA-N
Molecular Weight 324.373 g/mol
SMILES N(C(CNNC(=S)N)=O)c1ccc2sc(C(=O)O)cc2c1
SPLASH splash10-008a-4936000000-ec679b9d3be9fd240826
Source of Spectrum AH-140-449-4
Wiley ID 1696141