3,3'-DIETHYLTHIACARBOCYANINE IODIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21N2S2.I
Molecular Weight	492.439
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-DIETHYLTHIACARBOCYANINE IODIDE

Structure Search

SMILES

[I-].CCN1C(SC2=CC=CC=C12)=CC=CC3=[N+](CC)C4=C(S3)C=CC=C4

InChI

InChIKey=VZBILKJHDPEENF-UHFFFAOYSA-M

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

HIDE SMILES / InChI

Molecular Formula	C21H21N2S2
Molecular Weight	365.535
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	I
Molecular Weight	126.90447
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:09:18 GMT 2025` Edited by `admin` on `Mon Mar 31 21:09:18 GMT 2025`
Record UNII	LG7AT8S84N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-DIETHYLTHIACARBOCYANINE IODIDE

Common Name

English

3-ETHYL-2-(3-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)PROPENYL)BENZOTHIAZOLIUM IODIDE

Preferred Name

English

NK-76

Code

English

S-0290

Code

English

3,3'-DIETHYLBENZOTHIAZOLIUMCARBOCYANINE IODIDE

Common Name

English

BENZOTHIAZOLIUM, 3-ETHYL-2-(3-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-1-PROPEN-1-YL)-, IODIDE (1:1)

Systematic Name

English

D-283

Code

English

LC-8760

Code

English

3,3'-DIETHYL-2,2'-THIACARBOCYANINE IODIDE

Common Name

English

THIACARBOCYANINE IODIDE

Common Name

English

THIAZOLE PURPLE

Brand Name

English

NK-180

Code

English

Code System Code Type Description

CAS

905-97-5

Created by admin on Mon Mar 31 21:09:18 GMT 2025 , Edited by admin on Mon Mar 31 21:09:18 GMT 2025

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PUBCHEM

13486

Created by admin on Mon Mar 31 21:09:18 GMT 2025 , Edited by admin on Mon Mar 31 21:09:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID2046591

Created by admin on Mon Mar 31 21:09:18 GMT 2025 , Edited by admin on Mon Mar 31 21:09:18 GMT 2025

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FDA UNII

LG7AT8S84N

Created by admin on Mon Mar 31 21:09:18 GMT 2025 , Edited by admin on Mon Mar 31 21:09:18 GMT 2025

PRIMARY

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3,3'-DIETHYLTHIACARBOCYANINE

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Amount: