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Structure

3,3'-Dipropylthiadicarbocyanine iodide

CAS
53213-94-8
Catalog Number
ACM53213948
Category
Other Products
Molecular Weight
546.53
Molecular Formula
C25H27IN2S2

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Specification

Description
Alfa Chemistry offers high-purity 3,3'-Dipropylthiadicarbocyanine 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.
Synonyms
DiSC3(5) 3-Propyl-2-[5-[3-propyl-2(3H)-benzothiazolylidene]-1,3-pentadienyl]benzothiazolium Iodide 5-(3-Propylbenzothiazol-2-ylidene)-1-(3-propylbenzothiazolium-2-yl)-1,3-pentadiene Iodide
IUPAC Name
(2E)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
Canonical SMILES
CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-]
InChI
InChI=1S/C25H27N2S2.HI/c1-3-18-26-20-12-8-10-14-22(20)28-24(26)16-6-5-7-17-25-27(19-4-2)21-13-9-11-15-23(21)29-25;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
InChI Key
GDEURKKLNUGTDA-UHFFFAOYSA-M
Melting Point
245 °C(dec.)
Solubility
soluble in Methanol
Appearance
Light yellow to Amber to Dark green 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.
Absorption Wavelength
(max.) 653(MeOH) nm
Complexity
564
Covalently-Bonded Unit Count
2
Exact Mass
546.06604g/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
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
30
MDL Number
MFCD00075033
Monoisotopic Mass
546.06604g/mol
Packaging
1G-Glass Bottle with Plastic Insert
Physical State
(20 deg.C) Solid
Rotatable Bond Count
7
Storage Conditions
Store at room temperature and dry
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