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Substance Name: 4-Thia-6,9,11-triazadodecane-1-sulfonic acid, 12-phenyl-6-(2-((((phenylmethyl)amino)thioxomethyl)amino)ethyl)-5,10-dithioxo-, sodium salt (1:1)
RN: 2878-00-4
InChIKey: CIGRFAIRUWLADG-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C24-H33-N5-O3-S5.Na

Molecular Weight

  • 621.869
 
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Names and Synonyms

Synonym

  • EINECS 220-723-7

Systematic Names

  • 4-Thia-6,9,11-triazadodecane-1-sulfonic acid, 12-phenyl-6-(2-((((phenylmethyl)amino)thioxomethyl)amino)ethyl)-5,10-dithioxo-, sodium salt (1:1)
  • 9-Thia-2,4,7-triazadodecane-12-sulfonic acid, 1-phenyl-7-(2-((((phenylmethyl)amino)thioxomethyl)amino)ethyl)-3,8-dithioxo-, monosodium salt
  • Sodium 7-(2-(((benzylamino)thioxomethyl)amino)ethyl)-1-phenyl-3,8-dithioxo-9-thia-2,4,7-triazadodecane-12-sulphonate

Registry Numbers

CAS Registry Number

  • 2878-00-4

System Generated Number

  • 0002878004

Molecular Formulas

Molecular Formula

  • C24-H33-N5-O3-S5.Na

Molecular Formula Fragments

  • C24-H33-N5-O3-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H33N5O3S5.Na/c30-37(31,32)17-7-16-36-24(35)29(14-12-25-22(33)27-18-20-8-3-1-4-9-20)15-13-26-23(34)28-19-21-10-5-2-6-11-21;/h1-6,8-11H,7,12-19H2,(H2,25,27,33)(H2,26,28,34)(H,30,31,32);/q;+1/p-1

InChIKey

CIGRFAIRUWLADG-UHFFFAOYSA-M

Smiles

[Na+].C(NC(NCCN(C(SCCCS(=O)(=O)[O-])=S)CCNC(=S)NCc1ccccc1)=S)c1ccccc1