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Substance Name: 1H-Pyrrole-1-ethanethiol, 2,5-diphenyl-
RN: 153687-06-0
InChIKey: WXNQFSBDSXBSOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-S

Molecular Weight

  • 279.4053
 
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Names and Synonyms

Synonyms

  • 2,5-Diphenyl N-ethanethiol pyrrole
  • 2,5-Diphenyl-1H-pyrrole-1-ethanethiol

Systematic Name

  • 1H-Pyrrole-1-ethanethiol, 2,5-diphenyl-

Registry Numbers

CAS Registry Number

  • 153687-06-0

System Generated Number

  • 0153687060

Structure Descriptors

InChI

1S/C18H17NS/c20-14-13-19-17(15-7-3-1-4-8-15)11-12-18(19)16-9-5-2-6-10-16/h1-12,20H,13-14H2

InChIKey

WXNQFSBDSXBSOV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(n2CCS)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.