For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Methylthio-5-hydroxy-N-benzyl-S-triazolo(4,3-B)pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Methylthio-5-hydroxy-N-benzyl-S-triazolo(4,3-B)pyridazine
SpectraBase Compound ID K7hvU8Yg9rJ
InChI InChI=1S/C13H12N4S/c1-10-7-12(18)13-16(14-9-17(13)15-10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKey YGHVTKLYHLLBNC-UHFFFAOYSA-N
Mol Weight 256.33 g/mol
Molecular Formula C13H12N4S
Exact Mass 256.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8qCXcxApCLD
Name 1,2,4-Triazolo[4,5-b]pyridazine-4-ium, 1-benzyl-6-methyl-8-thiolato-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4S
InChI InChI=1S/C13H12N4S/c1-10-7-12(18)13-16(14-9-17(13)15-10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKey YGHVTKLYHLLBNC-UHFFFAOYSA-N
Molecular Weight 256.327 g/mol
SMILES c1ccc(C[n]2c3[n+](cn2)nc(cc3[S-])C)cc1
SPLASH splash10-0a6r-4290000000-7b6023ee188e32a64ded
Synonyms 1-Benzyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate 6-Methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate
Wiley ID 1439275