2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione

CAS Registry Number®

26029-09-4
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CAS Name

2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione

Molecular Formula

C11H13N3S

Molecular Mass

219.31

Cite this Page

2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26029-09-4 (retrieved 2024-05-02) (CAS RN: 26029-09-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13N3S/c1-8(2)14-10(12-13-11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,15)

InChIKey

InChIKey=GYEMVRVUKFGVOL-UHFFFAOYSA-N

SMILES

C(C)(C)N1C(=NNC1=S)C2=CC=CC=C2

Canonical SMILES

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

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-methylethyl)-5-phenyl-
  • 4H-1,2,4-Triazole-3-thiol, 4-isopropyl-5-phenyl-
  • 2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione
  • 3-Phenyl-4-propan-2-yl-1H-1,2,4-triazole-5-thione

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