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1-Methyl-3-methylthio-6-phenyl-7H-1,2,4-triazolo[3,4-b]-[1,3,4]thiadiazinium chloride
SpectraBase Compound ID Af4nHYy2B8r
InChI InChI=1S/C12H13N4S2.ClH/c1-15-12-16(11(14-15)17-2)13-10(8-18-12)9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/q+1;/p-1
InChIKey SAYGTPXHORHRTO-UHFFFAOYSA-M
Mol Weight 312.84 g/mol
Molecular Formula C12H13ClN4S2
Exact Mass 312.027016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIoZbdTs8Vh
Name 1-Methyl-3-methylthio-6-phenyl-7H-1,2,4-triazolo[3,4-b]-[1,3,4]thiadiazinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN4S2
InChI InChI=1S/C12H13N4S2.ClH/c1-15-12-16(11(14-15)17-2)13-10(8-18-12)9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/q+1;/p-1
InChIKey SAYGTPXHORHRTO-UHFFFAOYSA-M
Molecular Weight 312.837 g/mol
SMILES [Cl-].c12[n+](c(n[n]2C)SC)N=C(CS1)c1ccccc1
SPLASH splash10-0ugm-9810000000-49dd9dd3d4eb27cc894a
Source of Spectrum KC-1987-1860-12
Synonyms 1-Methyl-3-(methylsulfanyl)-6-phenyl-1H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-4-ium chloride
Wiley ID 1312861