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Substance Name: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-propyl-
RN: 153686-99-8
InChIKey: LRGRVYMIARIGRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N-S

Molecular Weight

  • 183.3173
 
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Names and Synonyms

Synonyms

  • 2-Methyl 5-propyl N-ethanethiol pyrrole
  • 2-Methyl-5-propyl-1H-pyrrole-1-ethanethiol

Systematic Name

  • 1H-Pyrrole-1-ethanethiol, 2-methyl-5-propyl-

Registry Numbers

CAS Registry Number

  • 153686-99-8

System Generated Number

  • 0153686998

Structure Descriptors

InChI

1S/C10H17NS/c1-3-4-10-6-5-9(2)11(10)7-8-12/h5-6,12H,3-4,7-8H2,1-2H3

InChIKey

LRGRVYMIARIGRU-UHFFFAOYSA-N

Smiles

CCCc1ccc(n1CCS)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.