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3-Thiophenecarbothioamide, N-(4-chlorophenyl)-2,5-dimethyl-
SpectraBase Compound ID I02d3vWqcX2
InChI InChI=1S/C13H12ClNS2/c1-8-7-12(9(2)17-8)13(16)15-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,15,16)
InChIKey KAMDZLWAKWEBIA-UHFFFAOYSA-N
Mol Weight 281.82 g/mol
Molecular Formula C13H12ClNS2
Exact Mass 281.009969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZW2Sy1IMzf
Name 3-Thiophenecarbothioamide, N-(4-chlorophenyl)-2,5-dimethyl-
CAS Registry Number 107366-80-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H12ClNS2
InChI InChI=1S/C13H12ClNS2/c1-8-7-12(9(2)17-8)13(16)15-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,15,16)
InChIKey KAMDZLWAKWEBIA-UHFFFAOYSA-N
Molecular Weight 281.819 g/mol
SMILES N(C(c1c(sc(c1)C)C)=S)c1ccc(cc1)Cl
SPLASH splash10-0a59-0960000000-5e1a26c3a83c03e4acce
Source of Spectrum F-42-3686-0
Synonyms 3-(p-chlorophenyl)amino-thixo-2,5-dimethyl-thiophene N-(4-chlorophenyl)-2,5-dimethyl-3-thiophenecarbothioamide
Wiley ID 1284701