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Substance Name: 1H-Pyrrole-1-ethanethiol, 2-(1-ethylpropyl)-5-methyl-
RN: 153686-90-9
InChIKey: HVOLYEHZDXTBJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N-S

Molecular Weight

  • 211.3709
 
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Names and Synonyms

Synonyms

  • 2-(1-Ethylpropyl) 5-methyl N-ethanethiol pyrrole
  • 2-(1-Ethylpropyl)-5-methyl-1H-pyrrole-1-ethanethiol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 153686-90-9

System Generated Number

  • 0153686909

Structure Descriptors

InChI

1S/C12H21NS/c1-4-11(5-2)12-7-6-10(3)13(12)8-9-14/h6-7,11,14H,4-5,8-9H2,1-3H3

InChIKey

HVOLYEHZDXTBJH-UHFFFAOYSA-N

Smiles

CCC(CC)c1ccc(n1CCS)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.