3,3'-DIETHYLTHIACARBOCYANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21N2S2
Molecular Weight	365.535
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	1

SHOW SMILES / InChI

Structure of 3,3'-DIETHYLTHIACARBOCYANINE

Structure Search

SMILES

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

InChI

InChIKey=JGLWGLKNDHZFAP-UHFFFAOYSA-N

InChI=1S/C21H21N2S2/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/q+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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:05:15 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:15 GMT 2025`
Record UNII	YBM8W799TH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-DIETHYLTHIACARBOCYANINE

Common Name

English

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

Preferred Name

English

CRYSTA-LYN 551024 CATION

Common Name

English

BENZOTHIAZOLIUM, 3-ETHYL-2-(3-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-1-PROPENYL)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

YBM8W799TH

Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025

PRIMARY

PUBCHEM

13487

Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025

PRIMARY

EPA CompTox

DTXSID9048352

Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025

PRIMARY

CAS

18403-49-1

Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025

PRIMARY

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