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Substance Name: 1H-Pyrrole-2-carbothioamide, 1-(2-methylpropyl)-
RN: 101001-67-6
InChIKey: CBIFRIQYHOQDDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N2-S

Molecular Weight

  • 182.2896
 
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Names and Synonyms

Synonyms

  • 1-(2-Methylpropyl)-1H-pyrrole-2-carbothioamide
  • 1-Isobutylpyrrole-2-carbothioamide

Systematic Name

  • 1H-Pyrrole-2-carbothioamide, 1-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 101001-67-6

System Generated Number

  • 0101001676

Structure Descriptors

InChI

1S/C9H14N2S/c1-7(2)6-11-5-3-4-8(11)9(10)12/h3-5,7H,6H2,1-2H3,(H2,10,12)

InChIKey

CBIFRIQYHOQDDG-UHFFFAOYSA-N

Smiles

CC(C)Cn1cccc1C(=S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4659726,