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3-ethyl-4-methyl-5-(methylthio)isothiazole
SpectraBase Compound ID Is01Iq7esUD
InChI InChI=1S/C7H11NS2/c1-4-6-5(2)7(9-3)10-8-6/h4H2,1-3H3
InChIKey SGIWMGFSAXPANV-UHFFFAOYSA-N
Mol Weight 173.29 g/mol
Molecular Formula C7H11NS2
Exact Mass 173.033292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7osBjzKeNsw
Name 3-ethyl-4-methyl-5-(methylthio)isothiazole
CAS Registry Number 118631-16-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NS2
InChI InChI=1S/C7H11NS2/c1-4-6-5(2)7(9-3)10-8-6/h4H2,1-3H3
InChIKey SGIWMGFSAXPANV-UHFFFAOYSA-N
Molecular Weight 173.292 g/mol
SMILES c1(c(snc1CC)SC)C
SPLASH splash10-05fr-0900000000-6108272d41fc87d4fcaa
Source of Spectrum J-54-1092-14
Synonyms 3-ethyl-4-methyl-5-(methylsulfanyl)isothiazole 3-ethyl-4-methyl-5-isothiazolyl methyl sulfide
Wiley ID 1169636