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Substance Name: Ketone, methyl 3-methyl-5-isothiazolyl, thiosemicarbazone
RN: 3683-63-4
InChIKey: NJACTMXYONDRQF-WEVVVXLNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H10-N4-S2

Molecular Weight

  • 214.316
 
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Names and Synonyms

Synonyms

  • 1-(1-Methyl-1-(3-methyl-5-isothiazolyl))methylenethiosemicarbazide
  • BRN 0521185
  • Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone
  • Thiosemicarbazide, 1-(1-methyl-1-(3-methyl-5-isothiazolyl))methylene-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 3683-63-4

System Generated Number

  • 0003683634

Structure Descriptors

InChI

1S/C7H10N4S2/c1-4-3-6(13-11-4)5(2)9-10-7(8)12/h3H,1-2H3,(H3,8,10,12)/b9-5+

InChIKey

NJACTMXYONDRQF-WEVVVXLNSA-N

Smiles

c1(\C(=N\NC(N)=S)C)cc(C)ns1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 680, 1965.