4-Isothiocyanato-1-[(3-methylphenyl)methyl]-1H-pyrazole

CAS Registry Number®

1004193-51-4
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CAS Name

4-Isothiocyanato-1-[(3-methylphenyl)methyl]-1H-pyrazole

Molecular Formula

C12H11N3S

Molecular Mass

229.30

Cite this Page

4-Isothiocyanato-1-[(3-methylphenyl)methyl]-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004193-51-4 (retrieved 2024-08-26) (CAS RN: 1004193-51-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11N3S/c1-10-3-2-4-11(5-10)7-15-8-12(6-14-15)13-9-16/h2-6,8H,7H2,1H3

InChIKey

InChIKey=ZDWSGMUYGXDDGP-UHFFFAOYSA-N

SMILES

C(N1C=C(N=C=S)C=N1)C2=CC(C)=CC=C2

Canonical SMILES

S=C=NC=1C=NN(C1)CC=2C=CC=C(C2)C

Other Names for this Substance

  • 1H-Pyrazole, 4-isothiocyanato-1-[(3-methylphenyl)methyl]-
  • 4-Isothiocyanato-1-[(3-methylphenyl)methyl]-1H-pyrazole