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Substance Name: 2(5H)-Thiophenone, 3-benzoyl-4-hydroxy-5-(p-nitrobenzylidene)-
RN: 10296-56-7
InChIKey: RTUPEJMVTMQSKM-UVTDQMKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H11-N-O5-S

Molecular Weight

  • 353.353
 
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Names and Synonyms

Synonyms

  • 2(5H)-Thiophenone, 3-benzoyl-4-hydroxy-5-((4-nitrophenyl)methylene)-
  • 2,4-Pentadienoic acid, 2-benzoyl-3-hydroxy-4-mercapto-5-(p-nitrophenyl)-, gamma-(thio lactone)
  • 3-Benzoyl-4-hydroxy-5-(p-nitrobenzylidene)-2(5H)-thiophenone
  • 3-Benzoyl-5-p-nitrobenzylidene-2,5-dihydro-4-hydroxy-2-oxothiophen
  • BRN 1328032

Systematic Name

  • 2(5H)-Thiophenone, 3-benzoyl-4-hydroxy-5-(p-nitrobenzylidene)-

Registry Numbers

CAS Registry Number

  • 10296-56-7

System Generated Number

  • 0010296567

Structure Descriptors

InChI

1S/C18H11NO5S/c20-16(12-4-2-1-3-5-12)15-17(21)14(25-18(15)22)10-11-6-8-13(9-7-11)19(23)24/h1-10,21H/b14-10-

InChIKey

RTUPEJMVTMQSKM-UVTDQMKNSA-N

Smiles

C1(C(=C(\C(S1)=C\c1ccc(cc1)[N+](=O)[O-])O)C(c1ccccc1)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 100mg/kg (100mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1501, 1968.