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Substance Name: 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate
RN: 5301-05-3
InChIKey: QQZUNHFGPFDDLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H4-N-O2-S5.H12-N3

Molecular Weight

  • 324.537
 
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Names and Synonyms

Name of Substance

  • 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate

Synonym

  • Triammonium 2-dithiocarbamoyl-3-dithiocarbonylthiopropanoate

Systematic Name

  • Ammonium, tri-, 2-dithiocarbamoyl-3-dithiocarbonylthiopropanoate

Registry Numbers

CAS Registry Number

  • 5301-05-3

System Generated Number

  • 0005301053

Molecular Formulas

Molecular Formula

  • C5-H4-N-O2-S5.H12-N3

Molecular Formula Fragments

  • C5-H4-N-O2-S5
  • COMPONENT
  • H12-N3

Structure Descriptors

InChI

1S/C5H7NO2S5.3H3N/c7-3(8)2(6-4(9)10)1-13-5(11)12;;;/h2H,1H2,(H,7,8)(H,11,12)(H2,6,9,10);3*1H3

InChIKey

QQZUNHFGPFDDLZ-UHFFFAOYSA-N

Smiles

C(=S)(SC[C@@H](C(=O)[O-])NC([S-])=S)[S-].[NH4+].[NH4+].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 974mg/kg (974mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 394, 1966.