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

CAS Registry Number®

175276-75-2

CAS Name

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

Molecular Formula

C13H17N3S

Molecular Mass

247.36

Cite this Page

5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-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=175276-75-2 (retrieved 2024-10-06) (CAS RN: 175276-75-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    204-206 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)

InChIKey

InChIKey=WBHKPLKLHZOBRB-UHFFFAOYSA-N

SMILES

CN1C(=NNC1=S)C2=CC=C(C(C)(C)C)C=C2

Canonical SMILES

S=C1NN=C(C=2C=CC(=CC2)C(C)(C)C)N1C

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-methyl-
  • 5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
  • 5-(4-tert-Butylphenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox