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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

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

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:40:06 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:06 GMT 2023
Record UNII
3KPL5N6L6M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE
Common Name English
XANTHYLIUM, 9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIMETHYLAMINO)-, INNER SALT
Systematic 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 Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
ALTERNATIVE
PUBCHEM
2762684
Created by admin on Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID30376366
Created by admin on Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
PRIMARY
FDA UNII
3KPL5N6L6M
Created by admin on Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
PRIMARY
CAS
760109-72-6
Created by admin on Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
ALTERNATIVE
CAS
80724-19-2
Created by admin on Sat Dec 16 12:40:06 GMT 2023 , Edited by admin on Sat Dec 16 12:40:06 GMT 2023
PRIMARY
Related Record Type Details
Structure of TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE CHLORIDE
SALT/SOLVATE -> PARENT
Structure of TETRAMETHYLRHODAMINE-5-ISOTHIOCYANATE
SALT/SOLVATE -> PARENT
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