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

CAS Registry Number®

83846-69-9
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CAS Name

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

Molecular Formula

C30H33N2S2.I

Cite this Page

Benzothiazolium, 3-ethyl-2-[3-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propen-1-yl]-, iodide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83846-69-9 (retrieved 2024-07-07) (CAS RN: 83846-69-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-195 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H33N2S2.HI/c1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;/h7-19H,5-6,20-21H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=XIKBXWGLIPMDCY-UHFFFAOYSA-M

SMILES

C(C)N1C=2C(SC1=CC3=CC(=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=CC=4SC=5C=CC=CC5[N+]4CC)CC(C)(C)C3)CC

Other Names for this Substance

  • Benzothiazolium, 3-ethyl-2-[3-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propen-1-yl]-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-[3-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-, iodide
  • 3-Ethyl-2-[[3-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]benzothiazolium iodide
  • DNTTCI
  • LC 8850

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Deleted or Replaced CAS Registry Numbers

34685-90-0, 112027-12-0, 116364-89-7, 117164-35-9, 130754-53-9, 137590-40-0, 139453-39-7, 141718-51-6, 144388-20-5, 157262-40-3, 159039-61-9, 170636-56-3, 188618-97-5, 1456711-45-7