3-Mercapto-5-phenyl-1,2,4-triazole

CAS Registry Number®

3414-94-6

CAS Name

3-Mercapto-5-phenyl-1,2,4-triazole

Molecular Formula

C8H7N3S

Molecular Mass

177.23

Cite this Page

3-Mercapto-5-phenyl-1,2,4-triazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3414-94-6 (retrieved 2024-12-19) (CAS RN: 3414-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    265-267 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)

InChIKey

InChIKey=JRLMMJNORORYPO-UHFFFAOYSA-N

SMILES

S=C1NC(=NN1)C2=CC=CC=C2

Canonical SMILES

S=C1NN=C(N1)C=2C=CC=CC2

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl-
  • Δ2-1,2,4-Triazoline-5-thione, 3-phenyl-
  • s-Triazole-3-thiol, 5-phenyl-
  • 1,2-Dihydro-5-phenyl-3H-1,2,4-triazole-3-thione
  • 3-Phenyl-5-mercapto-s-triazole

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Deleted or Replaced CAS Registry Numbers

7271-53-6, 78057-19-9

CAS INSIGHTSTM
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