3,3′-Diethylthiatricarbocyanine iodide

CAS Registry Number®

3071-70-3
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CAS Name

3,3′-Diethylthiatricarbocyanine iodide

Molecular Formula

C25H25N2S2.I

Cite this Page

3,3′-Diethylthiatricarbocyanine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3071-70-3 (retrieved 2024-04-26) (CAS RN: 3071-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-184 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

InChIKey=OYVFJKVYVDYPFV-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, iodide
  • Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl]-, iodide
  • 3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide
  • Thiatricarbocyanine iodide, 3,3′-diethyl-

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Deleted or Replaced CAS Registry Numbers

51895-79-5, 89013-15-0, 1201170-50-4

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