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2-({3-[(2-amino-2-oxoethyl)sulfanyl]-4-cyano-5-isothiazolyl}sulfanyl)acetamide
SpectraBase Compound ID EoNTXAQnR7I
InChI InChI=1S/C8H8N4O2S3/c9-1-4-7(15-2-5(10)13)12-17-8(4)16-3-6(11)14/h2-3H2,(H2,10,13)(H2,11,14)
InChIKey GBUPWISHNDJJJN-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C8H8N4O2S3
Exact Mass 287.980939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAeq2dM9BCh
Name 2-({3-[(2-amino-2-oxoethyl)sulfanyl]-4-cyano-5-isothiazolyl}sulfanyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C8H8N4O2S3/c9-1-4-7(15-2-5(10)13)12-17-8(4)16-3-6(11)14/h2-3H2,(H2,10,13)(H2,11,14)
InChIKey GBUPWISHNDJJJN-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3010
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: TSH/5634023; IOH_ID: IOH-003011
Temperature 297 °C