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Substance Name: 2-Propenethioic acid, 3-(3,4-dimethoxyphenyl)-, O-ethyl ester
RN: 117666-84-9
InChIKey: DVCRFDXBPOALAU-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O3-S

Molecular Weight

  • 252.3324
 
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Names and Synonyms

Synonyms

  • 3-(3,4-Dimethoxyphenyl)-2-propenethioic acid O-ethyl ester
  • Cinnamic acid, (3,4-dimethoxy)thio-, O-ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117666-84-9

System Generated Number

  • 0117666849

Structure Descriptors

InChI

1S/C13H16O3S/c1-4-16-13(17)8-6-10-5-7-11(14-2)12(9-10)15-3/h5-9H,4H2,1-3H3/b8-6+

InChIKey

DVCRFDXBPOALAU-SOFGYWHQSA-N

Smiles

CCOC(=S)/C=C/c1ccc(c(c1)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 980mg/kg (980mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.