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3,3'-Diethylthiatricarbocyanine iodide

Catalog Number
ACM3071703-1
CAS Number
3071-70-3
Product Name
3,3'-Diethylthiatricarbocyanine iodide
Structure
Category
Cyanine Dyes, Squarylium Dyes; Near-Infrared (NIR) Dyes; Other Materials
Synonyms
DiSC2(7) 3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide
Description
Alfa Chemistry offers high-purity 3,3'-Diethylthiatricarbocyanine Iodide products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
IUPAC Name
(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;iodide
Molecular Weight
544.51
Molecular Formula
C25H25IN2S2
Canonical SMILES
CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]
InChI
InChI=1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
OYVFJKVYVDYPFV-UHFFFAOYSA-M
Melting Point
211 °C(dec.)
Purity
>98.0%(N)
Appearance
Light yellow to Brown powder to crystal
Application
Cyanine dyes are useful for silver photography, and optical recording media by laser sensitivity. Water-soluble cyanine dyes are usable as fluorescent probes in biochemical research.
Complexity
601
Covalently-Bonded Unit Count
2
EC Number
221-342-9
Exact Mass
544.05039g/mol
Features And Benefits
Cyanine dyes contain some N-heterocycles on both sides of the polymethine structure. The N-heterocycle on the one side is a cationic ammonium with an electron-withdrawing effect, and the other N-heterocycle is a tertiary amine with an electron-donating effect. Accordingly, cyanine dyes show the light absorption of a charge transfer through the central polymethine structure.
Formal Charge
0
Heavy Atom Count
30
MDL Number
MFCD00041994
Monoisotopic Mass
544.05039g/mol
Rotatable Bond Count
6
Storage Conditions
Store at room temperature and dry
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