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Substance Name: 1H-1,2,4-Triazole-3-thiol, 5-(p-aminophenyl)-, hydrate
RN: 23455-78-9
InChIKey: ZFPXYLWYSNUYNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-N4-O-S.H2-O

Molecular Weight

  • 192.2452
 
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Names and Synonyms

Synonym

  • 5-(p-Aminophenyl)-s-triazole-3-thiol hydrate

Systematic Name

  • 1H-1,2,4-Triazole-3-thiol, 5-(p-aminophenyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 23455-78-9

System Generated Number

  • 0023455789

Molecular Formulas

Molecular Formula

  • C8-H10-N4-O-S.H2-O

Molecular Formula Fragments

  • C8-H10-N4-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C8H8N4S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,9H2,(H2,10,11,12,13)

InChIKey

ZFPXYLWYSNUYNG-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2[nH][nH]c(=S)n2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD05 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.