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Details

Stereochemistry ACHIRAL
Molecular Formula C25H24N3O3S3.Cl
Molecular Weight 546.124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOFLAVIN S2

SMILES

[Cl-].CN(C)C1=CC=C(C=C1)C2=[N+](C)C3=CC=C(C=C3S2)C4=[N+](C)C5=CC=C(C)C(=C5S4)S([O-])(=O)=O

InChI

InChIKey=VNVDHTWVCQCPLI-UHFFFAOYSA-M
InChI=1S/C25H24N3O3S3.ClH/c1-15-6-12-20-22(23(15)34(29,30)31)33-25(28(20)5)17-9-13-19-21(14-17)32-24(27(19)4)16-7-10-18(11-8-16)26(2)3;/h6-14H,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
THIOFLAVIN S2
Common Name English
2,6'-BIBENZOTHIAZOLIUM, 2'-(4-(DIMETHYLAMINO)PHENYL)-3,3',6-TRIMETHYL-7-SULFO-, INNER SALT, CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
155884413
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
CAS
401813-29-4
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
FDA UNII
FDK4QJ64TS
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY