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Substance Name: Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride
RN: 23545-70-2
InChIKey: SXBBEBWJKCVUGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-N2-S.Cl-H

Molecular Weight

  • 194.729
 
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Names and Synonyms

Synonym

  • 2-((2-Cyanoethyl)amino)-2-methylpropanethiol hydrochloride

Systematic Name

  • Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 23545-70-2

System Generated Number

  • 0023545702

Molecular Formulas

Molecular Formula

  • C7-H14-N2-S.Cl-H

Molecular Formula Fragments

  • C7-H14-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14N2S.ClH/c1-7(2,6-10)9-5-3-4-8;/h9-10H,3,5-6H2,1-2H3;1H

InChIKey

SXBBEBWJKCVUGH-UHFFFAOYSA-N

Smiles

N#CCCNC(CS)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.