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Substance Name: Isothiazole-5-carboxaldehyde, 4-chloro-, thiosemicarbazone
RN: 3683-65-6
InChIKey: ZRLIRMKGTHVHRD-KRXBUXKQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H5-Cl-N4-S2

Molecular Weight

  • 220.708
 
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Names and Synonyms

Synonyms

  • 1-(4-Chloro-5-isothiazolyl)methylenethiosemicarbazide
  • 4-Chloroisothiazole-5-carboxaldehyde thiosemicarbazone
  • BRN 0521335
  • Thiosemicarbazide, 1-(4-chloro-5-isothiazolyl)methylene-

Systematic Name

  • Isothiazole-5-carboxaldehyde, 4-chloro-, thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 3683-65-6

System Generated Number

  • 0003683656

Structure Descriptors

InChI

1S/C5H5ClN4S2/c6-3-1-9-12-4(3)2-8-10-5(7)11/h1-2H,(H3,7,10,11)/b8-2+

InChIKey

ZRLIRMKGTHVHRD-KRXBUXKQSA-N

Smiles

c1(c(cns1)Cl)\C=N\NC(N)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 680, 1965.