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Substance Name: 1-Piperazinecarbodithioic acid, 4-isopropyl-3-methyl-, sodium salt, hydrate (1:1:2)
RN: 26864-97-1
InChIKey: YSSUYWLNNPMUPX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-N2-S2.Na.2H2-O

Molecular Weight

  • 240.369
 
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Names and Synonyms

Synonym

  • 4-Isopropyl-3-methyl-1-piperazinecarbodithioic acid sodium salt hydrate (1:1:2)

Systematic Name

  • 1-Piperazinecarbodithioic acid, 4-isopropyl-3-methyl-, sodium salt, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 26864-97-1

System Generated Number

  • 0026864971

Molecular Formulas

Molecular Formula

  • C9-H17-N2-S2.Na.2H2-O

Molecular Formula Fragments

  • C9-H17-N2-S2
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C9H18N2S2.Na/c1-7(2)11-5-4-10(9(12)13)6-8(11)3;/h7-8H,4-6H2,1-3H3,(H,12,13);/q;+1/p-1

InChIKey

YSSUYWLNNPMUPX-UHFFFAOYSA-M

Smiles

[Na+].N1(C[C@@H]([N@@](CC1)C(C)C)C)C([S-])=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 7, 1970.