3,3-Diethylthiadicarbocyanine iodide

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Catalog Number
ACM514738
Product Name
3,3-Diethylthiadicarbocyanine iodide
Structure
Structure
CAS
514-73-8
Category
Organic & Printed Electronics
Description
Dithiazanine iodide appears as green, needle-like crystals. Used as a veterinary anthelmintic, as a sensitizer for photographic emulsions and as an insecticides. Not registered as a pesticide in the U.S. (EPA, 1998)
Synonyms
DELVEX;DEJO;COMPOUND 01748;EASTMAN 7663;DILOMBRIN;DILOMBRINE;DIETHYLTHIADICARBOCYANINE IODIDE;DITHIAZANINE IODIDE
IUPAC Name
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
Molecular Weight
518.5g/mol
Molecular Formula
C23H23IN2S2
Canonical SMILES
CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]
InChI
InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
MNQDKWZEUULFPX-UHFFFAOYSA-M
Melting Point
Decomposes at 478.4° F (EPA, 1998)
Solubility
Practically insoluble in water;Practically insoluble in ether;Very slightly soluble in alcohol and methyl alcohol;Can be solubilized with polyvinylpyrrolidone: Canadian Patent: 676,636 (1963 to GAF).
Color/Form
Dark greenish crystalline powder;Blue violet powder
Complexity
537
Covalently-Bonded Unit Count
2
Decomposition
When heated to decomposition it emits ... fumes of iodide, sulfur oxides and nitrogen oxides.
EC Number
208-186-7
Exact Mass
518.03474g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
28
Monoisotopic Mass
518.03474g/mol
Other Experimental
Green needles from methanol; decomposes @ 248 °C
Rotatable Bond Count
5
UN Number
2811
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