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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N2S2.I
Molecular Weight 466.402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,3′-Diethylthiacyanine iodide

SMILES

[I-].CCN1\C(SC2=C1C=CC=C2)=C/C3=[N+](CC)C4=C(S3)C=CC=C4

InChI

InChIKey=XWUVSDMFUQTKQC-UHFFFAOYSA-M
InChI=1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H19N2S2
Molecular Weight 339.498
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:54:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:37 GMT 2023
Record UNII
CMG7J66PX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3′-Diethylthiacyanine iodide
Common Name English
Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)
Systematic Name English
NSC-523969
Code English
THIACYANINE IODIDE
Common Name English
NK-88
Code English
3-Ethyl-2-[(3-ethyl-2-benzothiazolinylidene)methyl]benzothiazolium iodide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-593-1
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID10883806
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY
FDA UNII
CMG7J66PX2
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY
NSC
523969
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY
PUBCHEM
102222
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY
CAS
2197-01-5
Created by admin on Sat Dec 16 12:54:37 GMT 2023 , Edited by admin on Sat Dec 16 12:54:37 GMT 2023
PRIMARY