dithiazanine iodide (CHEBI:228275)

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ChEBI Name	dithiazanine iodide

ChEBI ID	CHEBI:228275

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:51900, CHEBI:51606

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Formulae

C23H23N2S2.I
C23H23N2S2.I

Net Charge

Average Mass

518.47867

Monoisotopic Mass

518.03474

InChI

InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

MNQDKWZEUULFPX-UHFFFAOYSA-M

SMILES

[I-].[H]C(=C([H])C([H])=C1Sc2ccccc2N1CC)C([H])=C([H])c1sc2ccccc2[n+]1CC

Roles Classification
Application(s):	fluorochrome A fluorescent dye used to stain biological specimens. anthelminthic drug Substance intended to kill parasitic worms (helminths).

ChEBI Ontology
Outgoing	dithiazanine iodide (CHEBI:228275) has part dithiazanine (CHEBI:52787) dithiazanine iodide (CHEBI:228275) has role anthelminthic drug (CHEBI:35443) dithiazanine iodide (CHEBI:228275) has role fluorochrome (CHEBI:51217) dithiazanine iodide (CHEBI:228275) is a benzothiazoles (CHEBI:37947) dithiazanine iodide (CHEBI:228275) is a organic iodide salt (CHEBI:50356)

IUPAC Name

3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide

Synonyms	Sources
(2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodide	ChemIDplus
3,3'-Diethyl-2,2'-thiadicarbocyanine iodide	ChemIDplus
3,3'-Diethyldithiacarbodicyanine iodide	ChemIDplus
3,3'-Diethylpentamethinethiacyanine iodide	ChemIDplus
3,3'-Diethylthiadicarbocyanine iodide	ChemIDplus
3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide	ChemIDplus
C5-thiacyanine	ChEBI
Diethylthiadicarbocyanine iodide	ChemIDplus
Thiadicarbocyanine (C5) dye	ChEBI

Last Modified

28 July 2014