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1,3,4-Thiadiazolium, 5-mercapto-2-(4-methylphenyl)-3-phenyl-, hydroxide, inner salt
SpectraBase Compound ID 1N9W56xlRI3
InChI InChI=1S/C15H12N2S2/c1-11-7-9-12(10-8-11)14-17(16-15(18)19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey YTYDICCCFWJOCI-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C15H12N2S2
Exact Mass 284.044191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvZGUXFkKuT
Name 1,3,4-Thiadiazolium, 5-mercapto-2-(4-methylphenyl)-3-phenyl-, hydroxide, inner salt
CAS Registry Number 26229-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2S2
InChI InChI=1S/C15H12N2S2/c1-11-7-9-12(10-8-11)14-17(16-15(18)19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey YTYDICCCFWJOCI-UHFFFAOYSA-N
Molecular Weight 284.395 g/mol
SMILES Cc1ccc(cc1)-c1[n+](-c2ccccc2)nc([S-])s1
SPLASH splash10-002o-8940000000-87884ca8f76f3a198dfb
Source of Spectrum O-7-210-7
Synonyms 2-(4-Methylphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium-5-ylsulfide 1,3,4-Thiadiazolidine-2-thione, 4-phenyl-5-p-tolyl-, meso-ionic didehydro deriv. 5-(4-Methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Wiley ID 1287729