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3-Methoxy-5-(methylsulfonyl)-4-isothiazolecarbonitrile
SpectraBase Compound ID 4qcD68zgv48
InChI InChI=1S/C6H6N2O3S2/c1-11-5-4(3-7)6(12-8-5)13(2,9)10/h1-2H3
InChIKey ZUERDQDGDWWSOV-UHFFFAOYSA-N
Mol Weight 218.24 g/mol
Molecular Formula C6H6N2O3S2
Exact Mass 217.981984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U3I05GV9Js
Name 3-Methoxy-5-(methylsulfonyl)-4-isothiazolecarbonitrile
CAS Registry Number 157138-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O3S2
InChI InChI=1S/C6H6N2O3S2/c1-11-5-4(3-7)6(12-8-5)13(2,9)10/h1-2H3
InChIKey ZUERDQDGDWWSOV-UHFFFAOYSA-N
Molecular Weight 218.245 g/mol
SMILES c1(c(c(OC)ns1)C#N)S(=O)(=O)C
SPLASH splash10-014i-5980000000-5047c525c61f7ca2ac49
Synonyms 3-Methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile 3-Methoxy-5-methylsulfonyl-isothiazole-4-carbonitrile 5-Mesyl-3-methoxy-isothiazole-4-carbonitrile 5-Methanesulfonyl-3-methoxy-isothiazole-4-carbonitrile
Wiley ID 1460919