Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanethiol, 2-((3-phenylpropyl)amino)-, hydrogen sulfate (ester)
RN: 956-74-1
InChIKey: XENUZQKXLSDMDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O3-S2

Molecular Weight

  • 275.391
 
* 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-((3-Phenylpropyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2657000

Systematic Name

  • Ethanethiol, 2-((3-phenylpropyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 956-74-1

System Generated Number

  • 0000956741

Structure Descriptors

InChI

1S/C11H17NO3S2/c13-17(14,15)16-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,13,14,15)

InChIKey

XENUZQKXLSDMDY-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.