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Substance Name: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-
RN: 153687-00-4
InChIKey: QRMCUTXWBFUSFB-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-Isopropyl 5-methyl N-ethanethiol pyrrole
  • 2-Methyl-5-(1-methylethyl)-1H-pyrrole-1-ethanethiol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 153687-00-4

System Generated Number

  • 0153687004

Structure Descriptors

InChI

1S/C10H17NS/c1-8(2)10-5-4-9(3)11(10)6-7-12/h4-5,8,12H,6-7H2,1-3H3

InChIKey

QRMCUTXWBFUSFB-UHFFFAOYSA-N

Smiles

Cc1ccc(n1CCS)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.