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Substance Name: Barbituric acid, 2-thio-5-vanillylidene-
RN: 73681-14-8
InChIKey: NJSVXZLVNLOVCG-UHFFFAOYSA-N

Molecular Formula

  • C12-H10-N2-O4-S

Molecular Weight

  • 278.287
 
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Names and Synonyms

Synonyms

  • 4-25-00-00517 (Beilstein Handbook Reference)
  • 5-Vanillylidene-2-thiobarbituric acid
  • Barbituric acid, 2-thio-5-vanillylidene-
  • BRN 0254168
  • NSC 509230

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 73681-14-8

System Generated Number

  • 0073681148

Structure Descriptors

InChI

1S/C12H10N2O4S/c1-18-9-5-6(2-3-8(9)15)4-7-10(16)13-12(19)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,19)

InChIKey

NJSVXZLVNLOVCG-UHFFFAOYSA-N

Smiles

c1(\C=C2\C(NC(=S)NC2=O)=O)cc(c(O)cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04561,