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Substance Name: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-
RN: 153686-91-0
InChIKey: PRIUUJWQSGAHNU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H19-N-S

Molecular Weight

  • 197.3441
 
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Names and Synonyms

Synonyms

  • 2-Isobutyl 5-methyl N-ethanethiol pyrrole
  • 2-Methyl-5-(2-methylpropyl)-1H-pyrrole-1-ethanethiol

Systematic Name

  • 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 153686-91-0

System Generated Number

  • 0153686910

Structure Descriptors

InChI

1S/C11H19NS/c1-9(2)8-11-5-4-10(3)12(11)6-7-13/h4-5,9,13H,6-8H2,1-3H3

InChIKey

PRIUUJWQSGAHNU-UHFFFAOYSA-N

Smiles

Cc1ccc(n1CCS)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.