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Substance Name: Ethanethiol, 2-phthalimido-, acetate (ester)
RN: 1084-55-5
InChIKey: VPXAKDDAXOLZDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N-O3-S

Molecular Weight

  • 249.289
 
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Names and Synonyms

Synonyms

  • Acetic acid, thio-, S-(2-phthalimidoethyl) ester
  • BRN 1468609
  • N-((2-Acetylthio)ethyl)phthalimide
  • Phthalimide, N-((2-acetylthio)ethyl)-
  • Thioacetic acid, S-(2-phthalimidoethyl) ester

Systematic Name

  • Ethanethiol, 2-phthalimido-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 1084-55-5

System Generated Number

  • 0001084555

Structure Descriptors

InChI

1S/C12H11NO3S/c1-8(14)17-7-6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3

InChIKey

VPXAKDDAXOLZDV-UHFFFAOYSA-N

Smiles

c1c2c(C(N(C2=O)CCSC(C)=O)=O)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.