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Substance Name: 2,11-Dodecadione, bisthiosemicarbazone, hydrate
RN: 18667-38-4
InChIKey: JJFBRNDTABAJKH-OYJDLGDISA-N

Molecular Formulas

  • C14-H28-N6-S2
  • C14-H28-N6-S2.H2-O

Molecular Weight

  • 362.564
 
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Names and Synonyms

Synonym

  • NSC 90428

Systematic Name

  • 2,11-Dodecadione, bisthiosemicarbazone, hydrate

Registry Numbers

CAS Registry Number

  • 18667-38-4

System Generated Number

  • 0018667384

Molecular Formulas

Molecular Formulas

  • C14-H28-N6-S2
  • C14-H28-N6-S2.H2-O

Molecular Formula Fragments

  • C14-H28-N6-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H28N6S2.H2O/c1-11(17-19-13(15)21)9-7-5-3-4-6-8-10-12(2)18-20-14(16)22;/h3-10H2,1-2H3,(H3,15,19,21)(H3,16,20,22);1H2/b17-11+,18-12+;

InChIKey

JJFBRNDTABAJKH-OYJDLGDISA-N

Smiles

C(=N\NC(N)=S)(\CCCCCCCC\C(=N\NC(N)=S)C)C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12495,