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Substance Name: Ketone, 3-isothiazolyl methyl, thiosemicarbazone
RN: 3683-61-2
InChIKey: WADCUZSNQYURKU-XBXARRHUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H8-N4-S2

Molecular Weight

  • 200.289
 
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Names and Synonyms

Synonyms

  • 1-(1-Isothiazol-3-yl-1-methyl)methylenethiosemicarbazide
  • 3-Isothiazolyl methyl ketone thiosemicarbazone
  • BRN 4791319
  • Thiosemicarbazide, 1-(1-isothiazol-3-yl-1-methyl)methylene-

Systematic Name

  • Ketone, 3-isothiazolyl methyl, thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 3683-61-2

System Generated Number

  • 0003683612

Structure Descriptors

InChI

1S/C6H8N4S2/c1-4(8-9-6(7)11)5-2-3-12-10-5/h2-3H,1H3,(H3,7,9,11)/b8-4+

InChIKey

WADCUZSNQYURKU-XBXARRHUSA-N

Smiles

c1(\C(=N\NC(N)=S)C)ccsn1

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.