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3-Bromo-5-(thien-3-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID EQpPkv9AGHu
InChI InChI=1S/C8H3BrN2S2/c9-8-6(3-10)7(13-11-8)5-1-2-12-4-5/h1-2,4H
InChIKey RKXRJTINMCBILB-UHFFFAOYSA-N
Mol Weight 271.15 g/mol
Molecular Formula C8H3BrN2S2
Exact Mass 269.892103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbAW4lpMFC7
Name 3-Bromo-5-(thien-3-yl)isothiazole-4-carbonitrile
Alternate Name(s) 3-Bromo-5-(thiophen-3-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3BrN2S2
InChI InChI=1S/C8H3BrN2S2/c9-8-6(3-10)7(13-11-8)5-1-2-12-4-5/h1-2,4H
InChIKey RKXRJTINMCBILB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 271.150 g/mol
SMILES c1(C#N)c(Br)nsc1-c1ccsc1
SPLASH splash10-00di-3890000000-8c69e55af454c4eba2e1
Source of Spectrum A1-13-1510/SM13-2s
Wiley ID 1752965