Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanethiol, 2-(4-cyclopentylbutyl)amino-, hydrogen sulfate (ester)
RN: 21226-87-9
InChIKey: PRWJPOQKIBTJHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N-O3-S2

Molecular Weight

  • 281.439
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-((4-Cyclopentylbutyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3055252
  • S-2-((4-Cyclopentylbutyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-cyclopentylbutyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21226-87-9

System Generated Number

  • 0021226879

Structure Descriptors

InChI

1S/C11H23NO3S2/c13-17(14,15)16-10-9-12-8-4-3-7-11-5-1-2-6-11/h11-12H,1-10H2,(H,13,14,15)

InChIKey

PRWJPOQKIBTJHA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCC1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.
mouse LD50 oral 938mg/kg (938mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.