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Substance Name: Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)
RN: 74203-47-7
InChIKey: IJTAUCPQMNRDBA-UHFFFAOYSA-M

Molecular Formula

  • C15-H17-N2-O-S.Br

Molecular Weight

  • 353.2823
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide
  • Pyridinium, 1-benzyl-3-dimethylcarbamoylthio-, bromide

Systematic Name

  • Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)

Registry Numbers

CAS Registry Number

  • 74203-47-7

System Generated Number

  • 0074203477

Molecular Formulas

Molecular Formula

  • C15-H17-N2-O-S.Br

Molecular Formula Fragments

  • Br
  • C15-H17-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17N2OS.BrH/c1-16(2)15(18)19-14-9-6-10-17(12-14)11-13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1

InChIKey

IJTAUCPQMNRDBA-UHFFFAOYSA-M

Smiles

CN(C)C(=O)Sc1ccc[n+](c1)Cc2ccccc2.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   Journal of the American Chemical Society. Vol. 73, Pg. 1210, 1951.