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2, 2'-Di[4-(methylthio)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H) -one)

View entire compound with spectra: 1 MS (GC)

2, 2'-Di[4-(methylthio)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H) -one)
SpectraBase Compound ID Hl4KbnshxfX
InChI InChI=1S/C32H22N4O4S4/c1-41-23-11-7-21(8-12-23)39-31-33-25-15-17-43-27(25)29(37)35(31)19-3-5-20(6-4-19)36-30(38)28-26(16-18-44-28)34-32(36)40-22-9-13-24(42-2)14-10-22/h3-18H,1-2H3
InChIKey ZSDGLQRKSADKRG-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C32H22N4O4S4
Exact Mass 654.05239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID go477NAiAN
Name 2, 2'-Di[4-(methylthio)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H) -one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22N4O4S4
InChI InChI=1S/C32H22N4O4S4/c1-41-23-11-7-21(8-12-23)39-31-33-25-15-17-43-27(25)29(37)35(31)19-3-5-20(6-4-19)36-30(38)28-26(16-18-44-28)34-32(36)40-22-9-13-24(42-2)14-10-22/h3-18H,1-2H3
InChIKey ZSDGLQRKSADKRG-UHFFFAOYSA-N
Molecular Weight 654.792 g/mol
SMILES C=1(N(C(c2c(N1)ccs2)=O)c1ccc(N2C(=Nc3c(C2=O)scc3)Oc2ccc(cc2)SC)cc1)Oc1ccc(cc1)SC
SPLASH splash10-000b-5950001000-42caae9df337db4394b4
Source of Spectrum Y-50-852-5f
Synonyms 2,2'-Di[4-(methylthio)phenoxy]-3,3'-(1,4-phenylene)bis(thieno[3,2-d] pyrimidin-4(3H) -one) 3,3'-(1,4-phenylene)bis(2-(4-(methylthio)phenoxy)thieno[3,2-d]pyrimidin-4(3H)-one)
Wiley ID 1736604