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Substance Name: 2,3-Octanedione, bis-N(sup 4)-methylthiosemicarbazone
RN: 18667-61-3
InChIKey: YXTHZKXQORJILF-KAVGSWPWSA-N

Molecular Formula

  • C12-H24-N6-S2

Molecular Weight

  • 316.496
 
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Names and Synonyms

Synonym

  • NSC 89234

Systematic Name

  • 2,3-Octanedione, bis-N(sup 4)-methylthiosemicarbazone

Registry Numbers

CAS Registry Number

  • 18667-61-3

System Generated Number

  • 0018667613

Structure Descriptors

InChI

1S/C12H24N6S2/c1-5-6-7-8-10(16-18-12(20)14-4)9(2)15-17-11(19)13-3/h5-8H2,1-4H3,(H2,13,17,19)(H2,14,18,20)/b15-9+,16-10+

InChIKey

YXTHZKXQORJILF-KAVGSWPWSA-N

Smiles

N(=C(\C(=N\NC(=S)NC)CCCCC)C)\NC(=S)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 112mg/kg (112mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12403,