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Substance Name: 2(5H)-Thiophenone, 3-acetyl-4-hydroxy-5-(2,3,4,5,6-pentafluorobenzylidene)-
RN: 10434-47-6
InChIKey: OHHQVBPGTBGKGQ-DJWKRKHSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H5-F5-O3-S

Molecular Weight

  • 336.236
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-4-hydroxy-5-(2,3,4,5,6-pentafluorobenzylidene)-2(5H)-thiophenone
  • BRN 1267142

Systematic Name

  • 2(5H)-Thiophenone, 3-acetyl-4-hydroxy-5-(2,3,4,5,6-pentafluorobenzylidene)-

Registry Numbers

CAS Registry Number

  • 10434-47-6

System Generated Number

  • 0010434476

Structure Descriptors

InChI

1S/C13H5F5O3S/c1-3(19)6-12(20)5(22-13(6)21)2-4-7(14)9(16)11(18)10(17)8(4)15/h2,20H,1H3/b5-2-

InChIKey

OHHQVBPGTBGKGQ-DJWKRKHSSA-N

Smiles

C1(C(=C(\C(S1)=C\c1c(c(c(c(c1F)F)F)F)F)O)C(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 164mg/kg (164mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1501, 1968.