3,3-Diethylthiacarbocyanine iodide

CAS

905-97-5

Catalog Number

ACM905975

Category

Organic & Printed Electronics

Molecular Weight

492.44

Molecular Formula

C₂₁H₂₁IN₂S₂

MSDS COA Spec Sheet

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Specification

Synonyms

3,3'-diethyltrimethinethiacyanineiodide;3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)-benzothiazoliui;3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)benzothiazoliumiod;3,3-DIETHYL-THIACARBOCYANIN IODIDE;3,3-DIETHYL-4,5,4,5-DIBENZOT

IUPAC Name

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

Canonical SMILES

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

InChI Key

VZBILKJHDPEENF-UHFFFAOYSA-M

Melting Point

268-270ºC (dec.)(lit.)

Exact Mass

492.01900

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36

WGK Germany

What is the PubChem CID of 3,3-Diethylthiacarbocyanine iodide?

The PubChem CID of 3,3-Diethylthiacarbocyanine iodide is 5709759.

What is the molecular formula of 3,3-Diethylthiacarbocyanine iodide?

The molecular formula of 3,3-Diethylthiacarbocyanine iodide is C21H21IN2S2.

What is the molecular weight of 3,3-Diethylthiacarbocyanine iodide?

The molecular weight of 3,3-Diethylthiacarbocyanine iodide is 492.4 g/mol.

What is the IUPAC name of 3,3-Diethylthiacarbocyanine iodide?

The IUPAC name of 3,3-Diethylthiacarbocyanine iodide is (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide.

What is the InChI of 3,3-Diethylthiacarbocyanine iodide?

The InChI of 3,3-Diethylthiacarbocyanine iodide is 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.

What is the InChIKey of 3,3-Diethylthiacarbocyanine iodide?

The InChIKey of 3,3-Diethylthiacarbocyanine iodide is VZBILKJHDPEENF-UHFFFAOYSA-M.

What is the canonical SMILES of 3,3-Diethylthiacarbocyanine iodide?

The canonical SMILES of 3,3-Diethylthiacarbocyanine iodide is CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-].

What is the CAS number of 3,3-Diethylthiacarbocyanine iodide?

The CAS number of 3,3-Diethylthiacarbocyanine iodide is 905-97-5.

What is the European Community (EC) Number of 3,3-Diethylthiacarbocyanine iodide?

The European Community (EC) Number of 3,3-Diethylthiacarbocyanine iodide is 620-696-5.

What is the topological polar surface area of 3,3-Diethylthiacarbocyanine iodide?

The topological polar surface area of 3,3-Diethylthiacarbocyanine iodide is 60.7Å².