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5-(4-methylbenzylthio)-3-phenyl-1,2,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

5-(4-methylbenzylthio)-3-phenyl-1,2,4-thiadiazole
SpectraBase Compound ID Jk3c3p6pxH1
InChI InChI=1S/C16H14N2S2/c1-12-7-9-13(10-8-12)11-19-16-17-15(18-20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey UWVGVOGNKMXTFE-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C16H14N2S2
Exact Mass 298.059841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQ8XqPbk4na
Name 5-(4-methylbenzylthio)-3-phenyl-1,2,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2S2
InChI InChI=1S/C16H14N2S2/c1-12-7-9-13(10-8-12)11-19-16-17-15(18-20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey UWVGVOGNKMXTFE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1397
Molecular Weight 298.422 g/mol
SMILES c1(nsc(n1)SCc1ccc(cc1)C)-c1ccccc1
SPLASH splash10-0a4i-0920000000-89f8f26944fe2338c424
Source of Spectrum RCM-18-763-19
Wiley ID 1836377