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5,5'-(1,4-phenylene)-bis[2-(ethylthio)-3-methyl-1,3-thiazolium-4-olate]
SpectraBase Compound ID 8bNUuCiy7Uh
InChI InChI=1S/C18H20N2O2S4/c1-5-23-17-19(3)15(21)13(25-17)11-7-9-12(10-8-11)14-16(22)20(4)18(26-14)24-6-2/h7-10H,5-6H2,1-4H3
InChIKey QCXLDSUDRLWSPF-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C18H20N2O2S4
Exact Mass 424.040763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Em2rztOx5W
Name 5,5'-(1,4-phenylene)-bis[2-(ethylthio)-3-methyl-1,3-thiazolium-4-olate]
CAS Registry Number 107985-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S4
InChI InChI=1S/C18H20N2O2S4/c1-5-23-17-19(3)15(21)13(25-17)11-7-9-12(10-8-11)14-16(22)20(4)18(26-14)24-6-2/h7-10H,5-6H2,1-4H3
InChIKey QCXLDSUDRLWSPF-UHFFFAOYSA-N
Molecular Weight 424.610 g/mol
SMILES c1([n+](c(sc1-c1ccc(-c2c([n+](C)c(s2)SCC)[O-])cc1)SCC)C)[O-]
SPLASH splash10-02mi-5952100000-09d840b36c6adab84d06
Source of Spectrum K-120-1021-12
Synonyms 2-(ethylsulfanyl)-5-{4-[2-(ethylsulfanyl)-3-methyl-4-oxido-1,3-thiazol-3-ium-5-yl]phenyl}-3-methyl-1,3-thiazol-3-ium-4-olate
Wiley ID 1379124