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4H-1,2,4-Triazole-3-thiol, 4-benzyl-5-methyl-

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4H-1,2,4-Triazole-3-thiol, 4-benzyl-5-methyl-
SpectraBase Compound ID KFn8Dq1S7tY
InChI InChI=1S/C10H11N3S/c1-8-11-12-10(14)13(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)
InChIKey KPEVOVMFLHPYIS-UHFFFAOYSA-N
Mol Weight 205.28 g/mol
Molecular Formula C10H11N3S
Exact Mass 205.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMP5FFw606c
Name 4H-1,2,4-Triazole-3-thiol, 4-benzyl-5-methyl-
CAS Registry Number 91129-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N3S
InChI InChI=1S/C10H11N3S/c1-8-11-12-10(14)13(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)
InChIKey KPEVOVMFLHPYIS-UHFFFAOYSA-N
Molecular Weight 205.279 g/mol
SMILES Sc1[n](c(nn1)C)Cc1ccccc1
SPLASH splash10-052f-9120000000-8f339952a1c67f60cd61
Synonyms 4-Benzyl-5-methyl-4H-1,2,4-triazole-3-thiol 3-Methyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione 4-Benzyl-3-methyl-1H-1,2,4-triazole-5-thione
Wiley ID 1457326