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3-Methylthio-4-cyano-5-trideuteriomethylthio-isothiazole
SpectraBase Compound ID B7NgjFaWDEb
InChI InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3/i2D3
InChIKey BDBFZCOZJOTIFS-BMSJAHLVSA-N
Mol Weight 205.33 g/mol
Molecular Formula C6H32D3N2S3
Exact Mass 204.988142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ixtypa2PJt4
Name 3-Methylthio-4-cyano-5-trideuteriomethylthio-isothiazole
CAS Registry Number 37572-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3D3N2S3
InChI InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3/i2D3
InChIKey BDBFZCOZJOTIFS-BMSJAHLVSA-N
Molecular Weight 205.326 g/mol
SMILES c1(c(snc1SC)SC([2D])([2D])[2D])C#N
SPLASH splash10-0a4i-6950000000-d51d99e676d168071095
Source of Spectrum O-7-472-1
Synonyms ylthio-4-cyano-5-trideuteriomethylthio-isothiazole
Wiley ID 1199112