CAS 905-97-5 3,3'-Diethylthiacarbocyanine iodide

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Cyanine Dyes, Squarylium Dyes

3,3'-Diethylthiacarbocyanine iodide

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Catalog Number

ACM905975-2

Product Name

3,3'-Diethylthiacarbocyanine iodide

Structure

CAS

905-97-5

Category

Cyanine Dyes, Squarylium Dyes

Synonyms

3-Ethyl-2-[3-[3-ethyl-2(3H)-benzothiazolylidene]-1-propenyl]benzothiazolium Iodide DiSC2(3)

Description

Alfa Chemistry offers high-purity 3,3'-Diethylthiacarbocyanine Iodide products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.

IUPAC Name

(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide

Molecular Weight

492.44

Molecular Formula

C21H21IN2S2

Canonical SMILES

CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

InChI

InChI=1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

InChI Key

VZBILKJHDPEENF-UHFFFAOYSA-M

Melting Point

268 °C

Purity

>98.0%(HPLC)(N)

Appearance

Amber to Brown to Dark green powder to crystal

Application

Cyanine dyes are useful for silver photography, and optical recording media by laser sensitivity. Water-soluble cyanine dyes are usable as fluorescent probes in biochemical research.

Complexity

474

Covalently-Bonded Unit Count

Exact Mass

492.01909g/mol

Features And Benefits

Cyanine dyes contain some N-heterocycles on both sides of the polymethine structure. The N-heterocycle on the one side is a cationic ammonium with an electron-withdrawing effect, and the other N-heterocycle is a tertiary amine with an electron-donating effect. Accordingly, cyanine dyes show the light absorption of a charge transfer through the central polymethine structure.

Formal Charge

Heavy Atom Count

MDL Number

MFCD00011956

MeSH Entry Terms

3,3'-diethylthiacarbocyanine iodide

Monoisotopic Mass

492.01909g/mol

Rotatable Bond Count

Storage Conditions

Store at room temperature and dry

MSDS