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5-amino-3-methyl-4-isothiazolecarbonitrile
SpectraBase Compound ID jMnyY1W6yQ
InChI InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey PJQFZPWSFDVYIF-UHFFFAOYSA-N
Mol Weight 139.18 g/mol
Molecular Formula C5H5N3S
Exact Mass 139.020418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVbTXHXZhra
Name 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile
Alternate Name(s) 5-Amino-3-methyl-4-isothiazolecarbonitrile 5-Amino-3-methyl-isothiazole-4-carbonitrile 5-Amino-4-cyano-3-methylisothiazole 5-Azanyl-3-methyl-1,2-thiazole-4-carbonitrile
CAS Registry Number 41808-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N3S
InChI InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey PJQFZPWSFDVYIF-UHFFFAOYSA-N
Molecular Weight 139.176 g/mol
SMILES Nc1c(c(ns1)C)C#N
SPLASH splash10-007d-9500000000-a30e4e37d298b221f246
Source of Spectrum Y-12-885-0
Wiley ID 1138538