THIOFLAVIN S2

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 Search

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

Molecular Formula	C25H24N3O3S3
Molecular Weight	510.671
Charge	1
Count

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

Molecular Formula	Cl
Molecular Weight	35.453
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 `Sat Dec 16 19:07:19 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:19 GMT 2023`
Record UNII	FDK4QJ64TS
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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