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1H-Pyrazole-4-carbothioic acid, 5-amino-3-methyl-1-phenyl-, S-methyl ester
SpectraBase Compound ID 544oVzthyUO
InChI InChI=1S/C12H13N3OS/c1-8-10(12(16)17-2)11(13)15(14-8)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3
InChIKey LIIZEQQAVNNLKE-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ddV8HjlCKk
Name 1H-Pyrazole-4-carbothioic acid, 5-amino-3-methyl-1-phenyl-, S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-8-10(12(16)17-2)11(13)15(14-8)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3
InChIKey LIIZEQQAVNNLKE-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
SMILES Nc1[n](nc(c1C(=O)SC)C)-c1ccccc1
SPLASH splash10-0udi-5290000000-c1a94143cea3072e4188
Source of Spectrum IY-2-4721-6
Synonyms 5-Amino-3-methyl-1-phenyl-4-pyrazolecarbothioic acid S-methyl ester S-methyl 5-amino-3-methyl-1-phenylpyrazole-4-carbothioate S-methyl 5-amino-3-methyl-1-phenyl-pyrazole-4-carbothioate S-methyl 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbothioate
Wiley ID 1655199