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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N2S2.Br
Molecular Weight 445.439
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE

SMILES

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

InChI

InChIKey=XMMSIZBVTLPHSO-UHFFFAOYSA-M
InChI=1S/C21H21N2S2.BrH/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

Approval Year

Unknown
149124
Name Type Language
3,3'-DIETHYLTHIACARBOCYANINE BROMIDE
Common Name English
THIACARBOCYANINE BROMIDE, 3,3'-DIETHYL-
Preferred Name English
BENZOTHIAZOLIUM, 3-ETHYL-2-(3-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-1-PROPEN-1-YL)-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50884973
Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025
PRIMARY
FDA UNII
T46X9F9KFW
Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025
PRIMARY
PUBCHEM
86561
Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025
PRIMARY
CAS
17389-14-9
Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025
PRIMARY
NIH
NCATS
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