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Substance Name: 2-Propenethioic acid, 3-(4-chlorophenyl)-, O-ethyl ester
RN: 117666-82-7
InChIKey: IYTWIYGKVNBNOP-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-Cl-O-S

Molecular Weight

  • 226.7259
 
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Names and Synonyms

Synonyms

  • 3-(4-Chlorophenyl)-2-propenethioic acid O-ethyl ester
  • Cinnamic acid, 4-chlorothio-, O-ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117666-82-7

System Generated Number

  • 0117666827

Structure Descriptors

InChI

1S/C11H11ClOS/c1-2-13-11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+

InChIKey

IYTWIYGKVNBNOP-VMPITWQZSA-N

Smiles

CCOC(=S)/C=C/c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 950mg/kg (950mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.