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Substance Name: Thiacyanine iodide
RN: 2197-01-5
InChIKey: XWUVSDMFUQTKQC-UHFFFAOYSA-M

Molecular Formula

  • C19-H19-N2-S2.I

Molecular Weight

  • 466.405
 
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Names and Synonyms

Results Name

  • Thiacyanine iodide

Synonyms

  • 3,3'-Diethyl-2,2'-thiacyanine iodide
  • 3,3'-Diethylthiacyanine iodide
  • Bis(3-ethylbenzothiazolyl(2))monomethinecyanine iodide
  • Bis(3-ethylbenzthiazolyl-(2))-monomethinecyanine iodide
  • EINECS 218-593-1
  • NK 88
  • NSC 523969
  • Thiacyanine iodide
  • Thiocyanine iodide

Systematic Names

  • 3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-, iodide
  • Benzothiazolium, 3-ethyl-2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-, iodide (1:1)

Registry Numbers

CAS Registry Number

  • 2197-01-5

System Generated Number

  • 0002197015

Molecular Formulas

Molecular Formula

  • C19-H19-N2-S2.I

Molecular Formula Fragments

  • C19-H19-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

XWUVSDMFUQTKQC-UHFFFAOYSA-M

Smiles

s1c2ccccc2[n+](c1\C=C1\Sc2ccccc2N1CC)CC.[IH-]