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Substance Name: 4-Pyrimidinecarboxylic acid, 5-((4-bromophenyl)thio)-2-(methylthio)-
RN: 61727-08-0
InChIKey: SKVSZJLUPZCHIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Br-N2-O2-S2

Molecular Weight

  • 357.2511
 
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Names and Synonyms

Synonyms

  • 5-((4-Bromophenyl)thio)-2-(methylthio)-4-pyrimidinecarboxylic acid
  • 5-25-07-00007 (Beilstein Handbook Reference)
  • BRN 0925901

Systematic Name

  • 4-Pyrimidinecarboxylic acid, 5-((4-bromophenyl)thio)-2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 61727-08-0

System Generated Number

  • 0061727080

Structure Descriptors

InChI

1S/C12H9BrN2O2S2/c1-18-12-14-6-9(10(15-12)11(16)17)19-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17)

InChIKey

SKVSZJLUPZCHIL-UHFFFAOYSA-N

Smiles

CSc1ncc(c(n1)C(=O)O)Sc2ccc(cc2)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 2771, 1976.