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Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 3-methyl-
SpectraBase Compound ID ArPlqp7e7mE
InChI InChI=1S/C6H5N3OS/c1-3-4-5(10)7-2-8-6(4)11-9-3/h2H,1H3,(H,7,8,10)
InChIKey RBERAANRKWWACQ-UHFFFAOYSA-N
Mol Weight 167.19 g/mol
Molecular Formula C6H5N3OS
Exact Mass 167.015333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51Dgnc6hCni
Name Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 3-methyl-
Alternate Name(s) 3-Methyl-5H-isothiazolo(5,4-d)pyrimidin-4-one 3-Methylisothiazolo[5,4-d]pyrimidin-4(5H)-one
CAS Registry Number 58648-95-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N3OS
InChI InChI=1S/C6H5N3OS/c1-3-4-5(10)7-2-8-6(4)11-9-3/h2H,1H3,(H,7,8,10)
InChIKey RBERAANRKWWACQ-UHFFFAOYSA-N
Molecular Weight 167.186 g/mol
SMILES N1C=Nc2c(C1=O)c(ns2)C
SPLASH splash10-016r-2900000000-574d8bfa5e081f85799f
Source of Spectrum Y-12-886-0
Wiley ID 1163381