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Substance Name: 2(5H)-Thiophenone, 3-acetyl-5-(3,4-dichlorobenzylidene)-4-hydroxy-
RN: 10434-43-2
InChIKey: JPWKTCZGAVILPJ-YHYXMXQVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-Cl2-O3-S

Molecular Weight

  • 315.175
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-5-(3,4-dichlorobenzylidene)-2,5-dihydro-4-hydroxy-2-oxothiophen
  • 3-Acetyl-5-(3,4-dichlorobenzylidene)-4-hydroxy-2(5H)-thiophenone
  • BRN 1253604

Systematic Names

  • 2(5H)-Thiophenone, 3-acetyl-5-((3,4-dichlorophenyl)methylene)-4-hydroxy- (9CI)
  • 2(5H)-Thiophenone, 3-acetyl-5-(3,4-dichlorobenzylidene)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 10434-43-2

System Generated Number

  • 0010434432

Structure Descriptors

InChI

1S/C13H8Cl2O3S/c1-6(16)11-12(17)10(19-13(11)18)5-7-2-3-8(14)9(15)4-7/h2-5,17H,1H3/b10-5-

InChIKey

JPWKTCZGAVILPJ-YHYXMXQVSA-N

Smiles

C1(C(=C(\C(S1)=C\c1cc(c(cc1)Cl)Cl)O)C(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 25mg/kg (25mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1501, 1968.