Tetramethylrhodamine thiocyanate
Basic information
- CAS
4158-89-8- Standard SMILES
CN(C)c1ccc2c(-c3ccc(SC#N)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1.[Cl-]- InChIKey
JGVWCANSWKRBCS-UHFFFAOYSA-N- Molecular formula
- C25H22ClN3O3S
- Average molar mass
- 480 g/mol
- Monoisotopic mass
- 479.1070404
Overview
Tetramethylrhodamine thiocyanate is an organic chloride salt. It has a role as a fluorochrome. It contains a tetramethylrhodamine thiocyanate cation. It is functionally related to a rhodamine 110.
Names & identifiers
- Preferred name
- Tetramethylrhodamine thiocyanate
- IUPAC
- [9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride
Names & synonyms
tetramethylrhodamine thiocyanate4158-89-8ThiocyanatotetramethylrhodamineRhodamine tetramethylthiocyanateCHEBI:52336DTXSID40194417Q271233849-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)xanthenium chloride[9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride9-[2-Carboxy-4-(thiocyanato)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride
Database identifiers
- CAS
4158-89-8- PubChem CID
- 65134
- DTXSID
DTXSID40194417- ChEBI
CHEBI:52336
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 907
Experimental & physicochemical properties
Chemical ClassesDyes -> Rhodamine Dyes
Chemistry & industry
Uses & manufacturing
UsesUsed for labeling of antibodies with fluorochromes; easily dissolved with DMSO; conjugates with immunoglobulins. [ChemIDplus]
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Related reactions
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Compound notes
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