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5-Phenyl-2-[[N-(benzylimino)-N'-(benzylamino)methanethio]methyl]thiazolo[2,3-b]-1,3,4-thiazolium tetrafluoroborate
SpectraBase Compound ID 3ZvLXyeWTcM
InChI InChI=1S/C26H23N4S3.BF4/c1-31-24(27-17-20-11-5-2-6-12-20)29(18-21-13-7-3-8-14-21)25-28-30-23(19-32-26(30)33-25)22-15-9-4-10-16-22;2-1(3,4)5/h2-16,19H,17-18H2,1H3;/q+1;-1/b27-24-;
InChIKey LHDHDVLDKCRMAM-XLKZBTFOSA-N
Mol Weight 574.48 g/mol
Molecular Formula C26H23BF4N4S3
Exact Mass 574.111403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56AqwRdxJCF
Name 5-Phenyl-2-[[N-(benzylimino)-N'-(benzylamino)methanethio]methyl]thiazolo[2,3-b]-1,3,4-thiazolium tetrafluoroborate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23BF4N4S3
InChI InChI=1S/C26H23N4S3.BF4/c1-31-24(27-17-20-11-5-2-6-12-20)29(18-21-13-7-3-8-14-21)25-28-30-23(19-32-26(30)33-25)22-15-9-4-10-16-22;2-1(3,4)5/h2-16,19H,17-18H2,1H3;/q+1;-1/b27-24-;
InChIKey LHDHDVLDKCRMAM-XLKZBTFOSA-N
Molecular Weight 574.482 g/mol
SMILES [B-](F)(F)(F)F.c1(n[n+]2c(s1)scc2-c1ccccc1)N(\C(=N\Cc1ccccc1)SC)Cc1ccccc1
SPLASH splash10-0006-9500000000-98cd59bde16f8fa94b04
Source of Spectrum F-48-1294-4
Synonyms (5-phenyl[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)methyl N-benzyl-N'-[(E)-phenylmethyl]imidothiocarbamate tetrafluoroborate 2-(1,3-Dibenzyl-2-methyl-isothioureido)-5-phenyl-thiazolo[2,3-b][1,3,4]thiadiazol-4-ylium
Wiley ID 1408000