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
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.ICite 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 ) (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
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
