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NSBVDANJMHJPML-UHFFFAOYSA-N
SpectraBase Compound ID CjHA9hhLDQT
InChI InChI=1S/C3H4N2S3/c1-5-3(7)8-2(6)4-5/h1H3,(H,4,6)
InChIKey NSBVDANJMHJPML-UHFFFAOYSA-N
Mol Weight 164.26 g/mol
Molecular Formula C3H4N2S3
Exact Mass 163.953662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5b5Acg3im5I
Name 2-MERCAPTO-4-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE-5-THIONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C3H4N2S3
InChI InChI=1S/C3H4N2S3/c1-5-3(7)8-2(6)4-5/h1H3,(H,4,6)
InChIKey NSBVDANJMHJPML-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY
Literature Reference Citation J.HETCYCL.CHEM.,30,333(1993)
Literature Reference DOI 10.1002/jhet.5570300207
Molecular Weight 164.258 g/mol
Solvent DMSO-D6
Source File Reference UWPB248