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Substance Name: Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
RN: 73681-09-1
InChIKey: DTPKHLIHZPJSFQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-I-N2-O4-S

Molecular Weight

  • 404.179
 
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Names and Synonyms

Synonyms

  • 5-(5-Iodovanillylidene)-2-thiobarbituric acid
  • Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
  • NSC 90733

Systematic Names

  • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((4-hydroxy-3-iodo-5-methoxyphenyl)methylene)-2-thioxo- (9CI)
  • Barbituric acid, 5-(5-iodovanillylidene)-2-thio-

Registry Numbers

CAS Registry Number

  • 73681-09-1

System Generated Number

  • 0073681091

Structure Descriptors

InChI

1S/C12H9IN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)

InChIKey

DTPKHLIHZPJSFQ-UHFFFAOYSA-N

Smiles

c1(\C=C2/C(NC(=S)NC2=O)=O)cc(c(O)c(c1)I)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04343,