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Substance Name: o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
RN: 73909-20-3
InChIKey: WHZCXTOAZVYXJV-UHFFFAOYSA-N

Molecular Formula

  • C12-H8-N2-O4-S

Molecular Weight

  • 276.271
 
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Names and Synonyms

Synonyms

  • 5-25-08-00439 (Beilstein Handbook Reference)
  • Benzoic acid, 2-((tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)-
  • BRN 0923592
  • NSC 90754

Systematic Names

  • Benzoic acid, 2-((tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)- (9CI)
  • o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-

Registry Numbers

CAS Registry Number

  • 73909-20-3

System Generated Number

  • 0073909203

Structure Descriptors

InChI

1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-3-1-2-4-7(6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)

InChIKey

WHZCXTOAZVYXJV-UHFFFAOYSA-N

Smiles

C1(\C(NC(NC1=O)=S)=O)=C/c1c(C(=O)O)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04342,