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Substance Name: 1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
RN: 1477-24-3
InChIKey: PBTAXYKMCKLQSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N4-S

Molecular Weight

  • 178.218
 
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Names and Synonyms

Synonyms

  • 1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)-
  • 5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol
  • NSC 151062
  • Pyridine, 4-(3-mercapto-1H-1,2,4-triazol-5-yl)-

Systematic Names

  • 1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 1477-24-3

System Generated Number

  • 0001477243

Structure Descriptors

InChI

1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)

InChIKey

PBTAXYKMCKLQSM-UHFFFAOYSA-N

Smiles

n1c([nH][nH]c1=S)c1ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 2595, 1990.
rat LD05 intraperitoneal 156mg/kg (156mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.