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1-Cyano-3-methylisothiourea, sodium salt

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-Cyano-3-methylisothiourea, sodium salt
SpectraBase Compound ID HC9bjpTIgcM
InChI InChI=1S/C3H5N3S.Na/c1-5-3(7)6-2-4;/h1H3,(H2,5,6,7);/q;+1/p-1
InChIKey DUIYSPUSAFHYLH-UHFFFAOYSA-M
Mol Weight 137.14 g/mol
Molecular Formula C3H4N3NaS
Exact Mass 137.002363 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID dzJUO6rAsh
Name 1-Cyano-3-methylisothiourea, sodium salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 213888
CAS Registry Number 67944-71-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H4N3NaS
InChI InChI=1S/C3H5N3S.Na/c1-5-3(7)6-2-4;/h1H3,(H2,5,6,7);/q;+1/p-1
InChIKey DUIYSPUSAFHYLH-UHFFFAOYSA-M
Observed nucleus 13C
Purity 94+%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003052