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Substance Name: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-
RN: 153687-02-6
InChIKey: TXKHTBIOMVKBCL-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-Methyl 5-pentyl N-ethanethiol pyrrole
  • 2-Methyl-5-pentyl-1H-pyrrole-1-ethanethiol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 153687-02-6

System Generated Number

  • 0153687026

Structure Descriptors

InChI

1S/C12H21NS/c1-3-4-5-6-12-8-7-11(2)13(12)9-10-14/h7-8,14H,3-6,9-10H2,1-2H3

InChIKey

TXKHTBIOMVKBCL-UHFFFAOYSA-N

Smiles

CCCCCc1ccc(n1CCS)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.