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Details

Stereochemistry ACHIRAL
Molecular Formula C25H22N3O3S.Cl
Molecular Weight 479.978
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE CHLORIDE

SMILES

[Cl-].CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C4=CC=C(C=C4C(O)=O)N=C=S)=C2C=C1)N(C)C

InChI

InChIKey=ZIDZWKOOWSJOJR-UHFFFAOYSA-N
InChI=1S/C25H21N3O3S.ClH/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;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE CHLORIDE
Common Name English
RHODAMINE B, TETRAMETHYL-, ISOTHIOCYANATE, ISOMER G
Preferred Name English
METHANAMINIUM, N-(9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-6-(DIMETHYLAMINO)-3H-XANTHEN-3-YLIDENE)-N-METHYL-, CHLORIDE
Systematic Name English
XANTHYLIUM, 9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIMETHYLAMINO)-, CHLORIDE (1:1)
Systematic Name English
(9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-6-(DIMETHYLAMINO)-3H-XANTHEN-3-YLIDENE)DIMETHYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
CAS
6749-36-6
Created by admin on Wed Apr 02 12:21:51 GMT 2025 , Edited by admin on Wed Apr 02 12:21:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-808-3
Created by admin on Wed Apr 02 12:21:51 GMT 2025 , Edited by admin on Wed Apr 02 12:21:51 GMT 2025
PRIMARY
PUBCHEM
585973
Created by admin on Wed Apr 02 12:21:51 GMT 2025 , Edited by admin on Wed Apr 02 12:21:51 GMT 2025
PRIMARY
FDA UNII
2SS5N696VU
Created by admin on Wed Apr 02 12:21:51 GMT 2025 , Edited by admin on Wed Apr 02 12:21:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID00986870
Created by admin on Wed Apr 02 12:21:51 GMT 2025 , Edited by admin on Wed Apr 02 12:21:51 GMT 2025
PRIMARY
NIH
NCATS
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