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5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-[1,3,4]-THIADIAZOLE-2-THIOL
SpectraBase Compound ID CcEslERqhgp
InChI InChI=1S/C10H10N2O2S3/c1-7-2-4-8(5-3-7)17(13,14)6-9-11-12-10(15)16-9/h2-5H,6H2,1H3,(H,12,15)
InChIKey FCDGZCWCXDVDBT-UHFFFAOYSA-N
Mol Weight 286.38 g/mol
Molecular Formula C10H10N2O2S3
Exact Mass 285.990441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYqqh4RcSe7
Name 5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-[1,3,4]-THIADIAZOLE-2-THIOL
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N2O2S3
InChI InChI=1S/C10H10N2O2S3/c1-7-2-4-8(5-3-7)17(13,14)6-9-11-12-10(15)16-9/h2-5H,6H2,1H3,(H,12,15)
InChIKey FCDGZCWCXDVDBT-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,P.THRIVENI,B.J.M.REDDY,A.PADMAJA
Literature Reference Citation J.HETCYCL.CHEM.,42,113(2005)
Literature Reference DOI 10.1002/jhet.5570420116
Molecular Weight 286.382 g/mol
Sample ID 42326
Solvent CDCl3