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3-(4-Chlorophenyl)sulfonyl-1-cyano-2-methyl-isothiourea
SpectraBase Compound ID Jkav0cEtX8d
InChI InChI=1S/C9H8ClN3O2S2/c1-16-9(12-6-11)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKey PEICIFLWIYNOSI-UHFFFAOYSA-N
Mol Weight 289.75 g/mol
Molecular Formula C9H8ClN3O2S2
Exact Mass 288.974647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57seWtmcCfH
Name 3-(4-Chlorophenyl)sulfonyl-1-cyano-2-methyl-isothiourea
Alternate Name(s) Methyl N'-(4-chlorophenyl)sulfonyl-N-cyano-carbamimidothioate N'-(4-chlorophenyl)sulfonyl-N-cyanocarbamimidothioic acid methyl ester
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Formula C9H8ClN3O2S2
InChI InChI=1S/C9H8ClN3O2S2/c1-16-9(12-6-11)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKey PEICIFLWIYNOSI-UHFFFAOYSA-N
Molecular Weight 289.755 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)\C(=N\C#N)SC
SPLASH splash10-03fr-0900000000-f6bd298028f6c9cc122b
Source of Spectrum SO-0-188-5
Wiley ID 865248