TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H21N3O3S
Molecular Weight	443.518
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE

Structure Search

SMILES

CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C4=C(C=C(C=C4)N=C=S)C([O-])=O)=C2C=C1)N(C)C

InChI

InChIKey=IJSMFQNTEUNRPY-UHFFFAOYSA-N

InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)18-8-5-15(26-14-32)11-21(18)25(29)30/h5-13H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C25H21N3O3S
Molecular Weight	443.518
Charge	0
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 `Tue Apr 01 19:35:32 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:32 GMT 2025`
Record UNII	3KPL5N6L6M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XANTHYLIUM, 9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIMETHYLAMINO)-, INNER SALT

Preferred Name

English

TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE

Common Name

English

5-TRITC

Common Name

English

2-(3-(DIMETHYLAMINO)-6-DIMETHYLAZANIUMYLIDENEXANTHEN-9-YL)-5-ISOTHIOCYANATOBENZOATE

Systematic Name

English

9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIMETHYLAMINO)XANTHYLIUM INNER SALT

Common Name

English

Code System Code Type Description

CAS

20746-54-7

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

ALTERNATIVE

PUBCHEM

2762684

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID30376366

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

PRIMARY

FDA UNII

3KPL5N6L6M

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

PRIMARY

CAS

760109-72-6

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

ALTERNATIVE

CAS

80724-19-2

Created by admin on Tue Apr 01 19:35:32 GMT 2025 , Edited by admin on Tue Apr 01 19:35:32 GMT 2025

PRIMARY

Related Record Type Details


					3KPL5N6L6M

TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE

SALT/SOLVATE -> PARENT

Amount: