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Substance Name: 1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-
RN: 99793-38-1
InChIKey: MSDUUOVVVOVKAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-Cl2-N3-S

Molecular Weight

  • 336.2449
 
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Names and Synonyms

Synonym

  • 1,5-Bis(4-chlorophenyl)-3-(methylthio)-1H-1,2,4-triazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 99793-38-1

System Generated Number

  • 0099793381

Structure Descriptors

InChI

1S/C15H11Cl2N3S/c1-21-15-18-14(10-2-4-11(16)5-3-10)20(19-15)13-8-6-12(17)7-9-13/h2-9H,1H3

InChIKey

MSDUUOVVVOVKAY-UHFFFAOYSA-N

Smiles

CSc1nc(n(n1)c2ccc(cc2)Cl)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 95, 1990.
mouse LD50 oral 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 95, 1990.
rat LD50 intraperitoneal 155mg/kg (155mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 95, 1990.
rat LD50 oral 770mg/kg (770mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 95, 1990.