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5-(Benzylsulfonyl)-3-chloro-4-isothiazolecarboxamide

View entire compound with spectra: 1 MS (GC)

5-(Benzylsulfonyl)-3-chloro-4-isothiazolecarboxamide
SpectraBase Compound ID I5cSE0X8ton
InChI InChI=1S/C11H9ClN2O3S2/c12-9-8(10(13)15)11(18-14-9)19(16,17)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,15)
InChIKey XMRVHPHDWJRJIX-UHFFFAOYSA-N
Mol Weight 316.78 g/mol
Molecular Formula C11H9ClN2O3S2
Exact Mass 315.974312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NHabJSOTle
Name 5-(Benzylsulfonyl)-3-chloro-4-isothiazolecarboxamide
Alternate Name(s) 3-Chloranyl-5-(phenylmethyl)sulfonyl-1,2-thiazole-4-carboxamide 3-Chloro-5-(phenylmethyl)sulfonyl-4-isothiazolecarboxamide 3-Chloro-5-phenylmethanesulfonyl-isothiazole-4-carboxylic acid amide 5-Benzylsulfonyl-3-chloro-1,2-thiazole-4-carboxamide 5-Benzylsulfonyl-3-chloro-isothiazole-4-carboxamide
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Formula C11H9ClN2O3S2
InChI InChI=1S/C11H9ClN2O3S2/c12-9-8(10(13)15)11(18-14-9)19(16,17)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,15)
InChIKey XMRVHPHDWJRJIX-UHFFFAOYSA-N
Molecular Weight 316.777 g/mol
SMILES NC(c1c(S(Cc2ccccc2)(=O)=O)snc1Cl)=O
SPLASH splash10-0006-9110000000-9c8cd63d55a242b2f538
Wiley ID 1460231