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Substance Name: Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methyl-, iodide (1:1)
RN: 42165-79-7
InChIKey: PMTWUKYACWLILD-UHFFFAOYSA-M

Molecular Formula

  • C24-H27-N2-S2.I

Molecular Weight

  • 534.523
 
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Names and Synonyms

Synonyms

  • 3,3'-Diethyl-5,5',9'-trimethylthiacarbocyanine iodide
  • EINECS 255-690-8

Systematic Names

  • 3-Ethyl-2-(3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5-methylbenzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methyl-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-5-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 42165-79-7

Other Registry Number

  • 51895-83-1

System Generated Number

  • 0042165797

Molecular Formulas

Molecular Formula

  • C24-H27-N2-S2.I

Molecular Formula Fragments

  • C24-H27-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H27N2S2.HI/c1-6-25-19-12-16(3)8-10-21(19)27-23(25)14-18(5)15-24-26(7-2)20-13-17(4)9-11-22(20)28-24;/h8-15H,6-7H2,1-5H3;1H/q+1;/p-1

InChIKey

PMTWUKYACWLILD-UHFFFAOYSA-M

Smiles

s1c([n+](c2c1ccc(c2)C)CC)\C=C(\C=C1\Sc2c(N1CC)cc(cc2)C)C.[IH-]