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Substance Name: Ketone, 4-bromo-3-methyl-5-isothiazolyl methyl, thiosemicarbazone
RN: 3683-44-1
InChIKey: MDPAYLQUTQMOLK-ONNFQVAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-Br-N4-S2

Molecular Weight

  • 293.212
 
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Names and Synonyms

Synonyms

  • 1-(1-Methyl-1-(4-bromo-3-methyl-5-isothiazolyl))methylenethiosemicarbazide
  • 4-Bromo-3-methyl-5-isothiazolyl methyl ketone thiosemicarbazone
  • BRN 0530117
  • Thiosemicarbazide, 1-(1-methyl-1-(4-bromo-3-methyl-5-isothiazolyl))methylene-

Systematic Name

  • Ketone, 4-bromo-3-methyl-5-isothiazolyl methyl, thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 3683-44-1

System Generated Number

  • 0003683441

Structure Descriptors

InChI

1S/C7H9BrN4S2/c1-3-5(8)6(14-12-3)4(2)10-11-7(9)13/h1-2H3,(H3,9,11,13)/b10-4+

InChIKey

MDPAYLQUTQMOLK-ONNFQVAWSA-N

Smiles

c1(c(c(C)ns1)Br)\C(=N\NC(N)=S)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 680, 1965.