IR 26 (Dye 26) structure

IR 26 (Dye 26)

4-[2-[2-chloro-3-[2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate

Also Known As: DYE 26|IR 26 (Dye 26)|4H-1-Benzothiopyran, 1-benzothiopyrylium deriv.; Dye 26; IR 26; NSC 379522; 4-[2-[2-Chloro-3-[(2-phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-2-phenyl-1-benzothiopyrylium Perchlorate

CAS: 76871-75-5
Molecular Formula C40H30Cl2O4S2
Molecular Weight 708.09625 g/mol
LogP 7.9402
Topological Polar Surface Area 92.24 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 708.09625
Monoisotopic Mass 708.09625
Heavy Atoms 48
Complexity 2073.644

Chemical Identifiers

CAS Number 76871-75-5
SMILES C1CC(=C(C(=CC=C2C=C(SC3=CC=CC=C32)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C6=CC=CC=C65)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Product Overview

IR 26 (Dye 26) (CAS 76871-75-5), with molecular formula C40H30Cl2O4S2 and molecular weight 708.09625 g/mol. IUPAC: 4-[2-[2-chloro-3-[2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate.

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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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