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
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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.ICite 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 ) (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)-