3,3′-Diethyl-9-methylthiacarbocyanine iodide

CAS Registry Number®

3065-79-0
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CAS Name

3,3′-Diethyl-9-methylthiacarbocyanine iodide

Molecular Formula

C22H23N2S2.I

Cite this Page

3,3′-Diethyl-9-methylthiacarbocyanine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3065-79-0 (retrieved 2024-05-01) (CAS RN: 3065-79-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=SAEMBGFHGROQJZ-UHFFFAOYSA-M

SMILES

C(C)N1C=2C(SC1=CC(=CC3=[N+](CC)C=4C(S3)=CC=CC4)C)=CC=CC2.[I-]

Canonical SMILES

[I-].S1C=2C=CC=CC2N(C1=CC(=CC=3SC=4C=CC=CC4[N+]3CC)C)CC

Other Names for this Substance

  • Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-, iodide
  • Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide
  • 3-Ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]benzothiazolium iodide
  • Thiacarbocyanine iodide, 3,3′-diethyl-9-methyl-

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Deleted or Replaced CAS Registry Numbers

51895-84-2

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