5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

CAS Registry Number®

175276-77-4
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CAS Name

5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula

C10H5F6N3S

Molecular Mass

313.22

Cite this Page

5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=175276-77-4 (retrieved 2024-09-13) (CAS RN: 175276-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H5F6N3S/c11-9(12,13)5-1-4(7-17-8(20)19-18-7)2-6(3-5)10(14,15)16/h1-3H,(H2,17,18,19,20)

InChIKey

InChIKey=LZZXOKHNNFOHDU-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1C=C(C=C(C(F)(F)F)C1)C=2NC(=S)NN2

Canonical SMILES

FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)C2=NNC(=S)N2

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 5-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-
  • 5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione
  • 5-(3,5-Bis(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol