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Substance Name: 2-Propenethioic acid, 3-(4-nitrophenyl)-, O-ethyl ester
RN: 117666-88-3
InChIKey: FRDZOKGZHZASRW-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N-O3-S

Molecular Weight

  • 237.2779
 
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Names and Synonyms

Synonyms

  • 3-(4-Nitrophenyl)-2-propenethioic acid O-ethyl ester
  • BRN 4429550
  • Cinnamic acid, 4-nitrothio-, O-ethyl ester

Systematic Name

  • 2-Propenethioic acid, 3-(4-nitrophenyl)-, O-ethyl ester

Registry Numbers

CAS Registry Number

  • 117666-88-3

System Generated Number

  • 0117666883

Structure Descriptors

InChI

1S/C11H11NO3S/c1-2-15-11(16)8-5-9-3-6-10(7-4-9)12(13)14/h3-8H,2H2,1H3/b8-5+

InChIKey

FRDZOKGZHZASRW-VMPITWQZSA-N

Smiles

CCOC(=S)/C=C/c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 970mg/kg (970mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.