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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(3-(trifluoromethyl)phenyl)-
RN: 110623-37-5
InChIKey: ALAPIMRPRMCMEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-F3-N3-S

Molecular Weight

  • 273.281
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-2,4-dimethyl-5-(3-(trifluoromethyl)phenyl)-3H-1,2,4-triazole-3-thione
  • BRN 6731662

Systematic Name

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 110623-37-5

System Generated Number

  • 0110623375

Structure Descriptors

InChI

1S/C11H10F3N3S/c1-16-9(15-17(2)10(16)18)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3

InChIKey

ALAPIMRPRMCMEE-UHFFFAOYSA-N

Smiles

Cn1c(nn(c1=S)C)c2cccc(c2)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1253, 1988.