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Substance Name: Phenol, 2-(4-(4-bromophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-
RN: 81518-38-9
InChIKey: INFJYQRYTMVHIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-Br-N3-O-S

Molecular Weight

  • 362.2498
 
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Names and Synonyms

Synonyms

  • 2-(4-(4-Bromophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)phenol
  • BRN 5097303

Systematic Name

  • Phenol, 2-(4-(4-bromophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-

Registry Numbers

CAS Registry Number

  • 81518-38-9

System Generated Number

  • 0081518389

Structure Descriptors

InChI

1S/C15H12BrN3OS/c1-21-15-18-17-14(12-4-2-3-5-13(12)20)19(15)11-8-6-10(16)7-9-11/h2-9,20H,1H3

InChIKey

INFJYQRYTMVHIC-UHFFFAOYSA-N

Smiles

CSc1nnc(n1c2ccc(cc2)Br)c3ccccc3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 1017, 1981.