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Substance Name: Ethanethiol, 2-((4-(3-thienyl)butyl)amino)-, hydrogen sulfate (ester)
RN: 38920-51-3
InChIKey: LKHJXBUNHXIANF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N-O3-S3

Molecular Weight

  • 295.4463
 
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Names and Synonyms

Synonyms

  • 2-((4-(3-Thienyl)butyl)amino)ethanethiol, hydrogen sulfate (ester)
  • 5-18-09-00601 (Beilstein Handbook Reference)
  • BRN 1431441

Systematic Name

  • Ethanethiol, 2-((4-(3-thienyl)butyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 38920-51-3

System Generated Number

  • 0038920513

Structure Descriptors

InChI

1S/C10H17NO3S3/c12-17(13,14)16-8-6-11-5-2-1-3-10-4-7-15-9-10/h4,7,9,11H,1-3,5-6,8H2,(H,12,13,14)

InChIKey

LKHJXBUNHXIANF-UHFFFAOYSA-N

Smiles

c1cscc1CCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.