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Substance Name: Ethanethiol, 2-(5-(phenylthio)pentyl)amino-, hydrogen sulfate (ester)
RN: 21224-79-3
InChIKey: NCIBCGFOVIJCAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O3-S3

Molecular Weight

  • 335.511
 
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Names and Synonyms

Synonyms

  • 2-((5-(Phenylthio)pentyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((5-(Phenylthio)pentyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(5-(phenylthio)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-79-3

System Generated Number

  • 0021224793

Structure Descriptors

InChI

1S/C13H21NO3S3/c15-20(16,17)19-12-10-14-9-5-2-6-11-18-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,15,16,17)

InChIKey

NCIBCGFOVIJCAD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCSc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.