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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
RN: 110623-40-0
InChIKey: VWCOOYWSPUKLGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N3-O2-S

Molecular Weight

  • 249.2929
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione
  • BRN 6731471

Systematic Name

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 110623-40-0

System Generated Number

  • 0110623400

Structure Descriptors

InChI

1S/C11H11N3O2S/c1-13-10(12-14(2)11(13)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,6H2,1-2H3

InChIKey

VWCOOYWSPUKLGH-UHFFFAOYSA-N

Smiles

Cn1c(nn(c1=S)C)c2ccc3c(c2)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1253, 1988.