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Substance Name: Ethanethiol, 2-((2-(p-chlorophenoxy)ethyl)amino)-, hydrogen sulfate (ester)
RN: 21224-67-9
InChIKey: GPGZYKBETPWQBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-Cl-N-O4-S2

Molecular Weight

  • 311.809
 
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Names and Synonyms

Synonyms

  • 2-((2-(p-Chlorophenoxy)ethyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((2-(p-Chlorophenoxy)ethyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-((2-(p-chlorophenoxy)ethyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-67-9

System Generated Number

  • 0021224679

Structure Descriptors

InChI

1S/C10H14ClNO4S2/c11-9-1-3-10(4-2-9)16-7-5-12-6-8-17-18(13,14)15/h1-4,12H,5-8H2,(H,13,14,15)

InChIKey

GPGZYKBETPWQBG-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCOc1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.