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Substance Name: 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
RN: 116850-67-0
InChIKey: HIYWYLKCJFGGSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-Cl-N3-S

Molecular Weight

  • 239.729
 
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Names and Synonyms

Synonym

  • 3-(2-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

Systematic Name

  • 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 116850-67-0

System Generated Number

  • 0116850670

Structure Descriptors

InChI

1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3

InChIKey

HIYWYLKCJFGGSX-UHFFFAOYSA-N

Smiles

Cn1c(nnc1SC)c2ccccc2Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.