tetramethylrhodamine thiocyanate

[9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride

CAS: 4158-89-8

Molecular Formula	`C25H22ClN3O3S`
Molecular Weight	480.0 g/mol
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	479.10703
Heavy Atoms	33
Complexity	907.0

Chemical Identifiers

CAS Number	4158-89-8
SMILES	`CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)SC#N)C(=O)O.[Cl-]`
InChIKey	`JGVWCANSWKRBCS-UHFFFAOYSA-N`

📖 Product Overview

tetramethylrhodamine thiocyanate (CAS: 4158-89-8) is a chemical compound with molecular formula C25H22ClN3O3S and molecular weight 480.0 g/mol. Its IUPAC systematic name is [9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride. Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 479.10703 Heavy Atoms 33 Complexity 907.0 InChI Key: JGVWCANSWKRBCS-UHFFFAOYSA-N. SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)SC#N)C(=O)O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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