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4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbothioamide
SpectraBase Compound ID CyA4L9t6TVH
InChI InChI=1S/C9H11NOS3/c1-4-6(5(2)11)9(13-3)14-7(4)8(10)12/h1-3H3,(H2,10,12)
InChIKey UFLHKKBYUPEGRJ-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C9H11NOS3
Exact Mass 245.000277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTbNDVvmLgQ
Name 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbothioamide
Alternate Name(s) 4-Acetyl-3-methyl-5-(methylsulfanyl)-2-thiophenecarbothioamide 4-Acetyl-3-methyl-5-(methylthio)-2-thiophenecarbothioamide 4-Acetyl-3-methyl-5-methylsulfanyl-thiophene-2-carbothioamide 4-Ethanoyl-3-methyl-5-methylsulfanyl-thiophene-2-carbothioamide
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Formula C9H11NOS3
InChI InChI=1S/C9H11NOS3/c1-4-6(5(2)11)9(13-3)14-7(4)8(10)12/h1-3H3,(H2,10,12)
InChIKey UFLHKKBYUPEGRJ-UHFFFAOYSA-N
Molecular Weight 245.373 g/mol
SMILES NC(c1c(c(c(s1)SC)C(=O)C)C)=S
SPLASH splash10-001i-5590000000-b117f001cf74bf006623
Source of Spectrum AD-0-2532-0
Wiley ID 1427466