Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanethiol, 2-(9-methoxynonyl)amino-, hydrogen sulfate (ester)
RN: 21220-94-0
InChIKey: NNGKOQQUMCANGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N-O4-S2

Molecular Weight

  • 313.48
 
* 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-((9-Methoxynonyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3055072
  • S-2-((9-Methoxynonyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((9-methoxynonyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(9-methoxynonyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-94-0

System Generated Number

  • 0021220940

Structure Descriptors

InChI

1S/C12H27NO4S2/c1-17-11-8-6-4-2-3-5-7-9-13-10-12-18-19(14,15)16/h13H,2-12H2,1H3,(H,14,15,16)

InChIKey

NNGKOQQUMCANGC-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCCCCCOC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.