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Substance Name: 1H-1,2,4-Triazole-3-thiol, 5-phenyl-
RN: 3414-94-6
InChIKey: JRLMMJNORORYPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N3-S

Molecular Weight

  • 177.23
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-5-phenyl-3H-1,2,4-triazole-3-thione
  • 1H-1,2,4-Triazole-3-thiol, 5-phenyl-
  • 2-Fenil-5-mercapto-1,3,4-triazolo
  • 2-Fenil-5-mercapto-1,3,4-triazolo [Italian]
  • 3H-1,2,4-Triazole-3-thione, 1,4-dihydro-5-phenyl-
  • 5-Phenyl-s-triazole-3-thiol
  • NSC 11565

Systematic Names

  • 1H-1,2,4-Triazole-3-thiol, 5-phenyl-
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl- (9CI)
  • delta2-1,2,4-Triazoline-5-thione, 3-phenyl- (8CI)

Registry Numbers

CAS Registry Number

  • 3414-94-6

System Generated Number

  • 0003414946

Structure Descriptors

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

JRLMMJNORORYPO-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)[nH]c(S)nn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 2595, 1990.
rat LD05 intraperitoneal 790mg/kg (790mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.