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Substance Name: Benzothiazolium, 2-(2-(4-((3-aminopropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, thiocyanate, thiocyanate (1:1:1)
RN: 120448-00-2
InChIKey: RZHQCUWOUJCRHX-UHFFFAOYSA-M

Classification Code

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

Molecular Formula

  • C20-H26-N5-O-S.C-H-N-S.C-N-S

Molecular Weight

  • 442.6094
 
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Names and Synonyms

Synonym

  • 6-Methoxy-3-methyl-2-(4-(N-(3-aminopropyl)-N-ethylamino)phenylazo)benzothiazolium, dithiocyanate

Systematic Names

  • Benzothiazolium, 2-((4-((3-aminopropyl)ethylamino)phenyl)azo)-6-methoxy-3-methyl-, thiocyanate, monothiocyanate
  • Benzothiazolium, 2-(2-(4-((3-aminopropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, thiocyanate, thiocyanate (1:1:1)

Registry Numbers

CAS Registry Number

  • 120448-00-2

System Generated Number

  • 0120448002

Molecular Formulas

Molecular Formula

  • C20-H26-N5-O-S.C-H-N-S.C-N-S

Molecular Formula Fragments

  • C-H-N-S
  • C-N-S
  • C20-H26-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N5OS.CHNS/c1-4-25(13-5-12-21)16-8-6-15(7-9-16)22-23-20-24(2)18-11-10-17(26-3)14-19(18)27-20;2-1-3/h6-11,14H,4-5,12-13,21H2,1-3H3;3H/q+1;/p-1

InChIKey

RZHQCUWOUJCRHX-UHFFFAOYSA-M

Smiles

[n+]1(c(sc2c1ccc(c2)OC)/N=N/c1ccc(N(CCCN)CC)cc1)C.C(#N)[S-]