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Substance Name: 2(5H)-Thiophenone, 3-acetyl-5-benzylidene-4-hydroxy-
RN: 10434-38-5
InChIKey: SPAMMRDCGWMTRI-YFHOEESVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O3-S

Molecular Weight

  • 246.285
 
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Names and Synonyms

Synonyms

  • 2(5H)-Thiophenone, 3-acetyl-4-hydroxy-5-(phenylmethylene)-
  • 2,4-Pentadienoic acid, 2-acetyl-3-hydroxy-4-mercapto-5-phenyl-, gamma-(thio lactone)
  • 3-Acetyl-5-benzylidene-2,5-dihydro-4-hydroxy-2-oxothiophen
  • 3-Acetyl-5-benzylidene-4-hydroxy-2(5H)-thiophenone
  • BRN 1246709

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 10434-38-5

System Generated Number

  • 0010434385

Structure Descriptors

InChI

1S/C13H10O3S/c1-8(14)11-12(15)10(17-13(11)16)7-9-5-3-2-4-6-9/h2-7,15H,1H3/b10-7-

InChIKey

SPAMMRDCGWMTRI-YFHOEESVSA-N

Smiles

C1(C(=C(\C(S1)=C\c1ccccc1)O)C(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 200mg/kg (200mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1501, 1968.