Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide (1:1)

CAS Registry Number®

20517-94-6

CAS Name

Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide (1:1)

Molecular Formula

C28H31N2S2.I

Cite this Page

Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20517-94-6 (retrieved 2024-11-23) (CAS RN: 20517-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-216 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H31N2S2.HI/c1-5-29-22-11-7-9-13-24(22)31-26(29)16-20-15-21(19-28(3,4)18-20)17-27-30(6-2)23-12-8-10-14-25(23)32-27;/h7-17H,5-6,18-19H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=FYSXSSIUGXIMOX-UHFFFAOYSA-M

SMILES

C(C)N1C=2C(SC1=CC3=CC(=CC4=[N+](CC)C=5C(S4)=CC=CC5)CC(C)(C)C3)=CC=CC2.[I-]

Canonical SMILES

[I-].S1C=2C=CC=CC2N(C1=CC3=CC(=CC=4SC=5C=CC=CC5[N+]4CC)CC(C)(C)C3)CC

Other Names for this Substance

  • Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2-benzothiazolinylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide
  • Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide
  • 3-Ethyl-2-[[3-(3-ethyl-2-benzothiazolinylidenemethyl)-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]benzothiazolium iodide
  • Thiadicarbocyanine iodide, 3,3′-diethyl-9,11-(β,β-dimethyltrimethylene)-

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