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Substance Name: Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrochloride
RN: 38920-58-0
InChIKey: FTKYLEOPBUQVND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-S.Cl-H

Molecular Weight

  • 251.8634
 
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Names and Synonyms

Synonym

  • 2-((2-Cyclohexylbutyl)amino)ethanethiol hydrochloride

Systematic Name

  • Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 38920-58-0

System Generated Number

  • 0038920580

Molecular Formulas

Molecular Formula

  • C12-H25-N-S.Cl-H

Molecular Formula Fragments

  • C12-H25-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H25NS.ClH/c1-2-11(10-13-8-9-14)12-6-4-3-5-7-12;/h11-14H,2-10H2,1H3;1H

InChIKey

FTKYLEOPBUQVND-UHFFFAOYSA-N

Smiles

CCC(CNCCS)C1CCCCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.