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1-[(E)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea
SpectraBase Compound ID FDkf51I8lRk
InChI InChI=1S/C12H13N5S/c13-12(18)16-14-6-11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,13,16,18)/b14-6+
InChIKey DQMPJZXULNBJFS-MKMNVTDBSA-N
Mol Weight 259.33 g/mol
Molecular Formula C12H13N5S
Exact Mass 259.089167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KrfYl7vYqL
Name 1-[(E)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea
Alternate Name(s) [(E)-(1-benzylpyrazol-4-yl)methyleneamino]thiourea [(E)-(1-benzylpyrazol-4-yl)methylideneamino]thiourea [(E)-[1-(phenylmethyl)-4-pyrazolyl]methylideneamino]thiourea
CAS Registry Number 132549-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5S
InChI InChI=1S/C12H13N5S/c13-12(18)16-14-6-11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,13,16,18)/b14-6+
InChIKey DQMPJZXULNBJFS-MKMNVTDBSA-N
Molecular Weight 259.331 g/mol
SMILES N(C(=S)N)\N=C\c1c[n](nc1)Cc1ccccc1
SPLASH splash10-0006-9010000000-b13082ec49cd41b288c2
Source of Spectrum AH-121-844-0
Wiley ID 1262556