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1-(3-Methyl-1H-pyrazol-5-yl)-3-benzylthiourea
SpectraBase Compound ID 3sGmJ289FRw
InChI InChI=1S/C12H14N4S/c1-9-7-11(16-15-9)14-12(17)13-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,13,14,15,16,17)
InChIKey ZTRDYMLQSIJPBS-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C12H14N4S
Exact Mass 246.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKrGH6wFBbC
Name 1-(3-Methyl-1H-pyrazol-5-yl)-3-benzylthiourea
Alternate Name(s) 1-Benzyl-3-(3-methyl-1H-pyrazol-5-yl)thiourea 1-(5-Methyl-1H-pyrazol-3-yl)-3-(phenylmethyl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4S
InChI InChI=1S/C12H14N4S/c1-9-7-11(16-15-9)14-12(17)13-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,13,14,15,16,17)
InChIKey ZTRDYMLQSIJPBS-UHFFFAOYSA-N
Molecular Weight 246.332 g/mol
SMILES N(c1cc(n[nH]1)C)C(=S)NCc1ccccc1
SPLASH splash10-0002-9440000000-c0ac6be5dd8d1ce9245e
Source of Spectrum Y-49-1384-6b
Wiley ID 1736632