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S-Methylisothiourea hemisulfate salt
SpectraBase Compound ID 3AommhpLRSv
InChI InChI=1S/C2H6N2S.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey NNBBQNFHCVVQHZ-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C2H8N2O4S2
Exact Mass 187.992549 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KK4vhu74oxk
Name S-Methylisothiourea hemisulfate salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number M84445
CAS Registry Number 867-44-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2H8N2O4S2
InChI InChI=1S/C2H6N2S.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey NNBBQNFHCVVQHZ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Methyl-2-thiopseudourea hemisulfate salt; S-Methyl-ITU; S-Methylthiuronium sulfate; SMT
Wiley ID SIAL_1HNMR_012319