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Substance Name: Heptanal, 3-thiosemicarbazone
RN: 5351-79-1
InChIKey: IYQJJMCEAOEWJO-JXMROGBWSA-N

Molecular Formula

  • C8-H17-N3-S

Molecular Weight

  • 187.309
 
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Names and Synonyms

Synonyms

  • 4-03-00-00378 (Beilstein Handbook Reference)
  • AI3-22968
  • BRN 1769667
  • Enanthaldehyde, thiosemicarbazone

Systematic Names

  • Heptanal, 3-thiosemicarbazone
  • Hydrazinecarbothioamide, 2-heptylidene-

Registry Numbers

CAS Registry Number

  • 5351-79-1

System Generated Number

  • 0005351791

Structure Descriptors

InChI

1S/C8H17N3S/c1-2-3-4-5-6-7-10-11-8(9)12/h7H,2-6H2,1H3,(H3,9,11,12)/b10-7+

InChIKey

IYQJJMCEAOEWJO-JXMROGBWSA-N

Smiles

C(=S)(N\N=C\CCCCCC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 100mg/kg (100mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 45, 1953.