3,3-Diethylthiadicarbocyanine iodide

• CAS: 514-73-8
• Catalog Number: ACM514738
• Category: Organic & Printed Electronics
• Molecular Weight: 518.5g/mol
• Molecular Formula: C23H23IN2S2
• 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
• 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

Custom Q&A

What is the PubChem CID for 3,3-Diethylthiadicarbocyanine iodide?

The PubChem CID for 3,3-Diethylthiadicarbocyanine iodide is 5702697.

What is the molecular formula of 3,3-Diethylthiadicarbocyanine iodide?

The molecular formula of 3,3-Diethylthiadicarbocyanine iodide is C23H23N2S2.I.

What is the molecular weight of 3,3-Diethylthiadicarbocyanine iodide?

The molecular weight of 3,3-Diethylthiadicarbocyanine iodide is 518.5 g/mol.

What is the parent compound of 3,3-Diethylthiadicarbocyanine iodide?

The parent compound of 3,3-Diethylthiadicarbocyanine iodide is CID 10579 (3,3'-Diethylthiadicarbocyanine).

What are the synonyms of 3,3-Diethylthiadicarbocyanine iodide?

The synonyms of 3,3-Diethylthiadicarbocyanine iodide include DITHIAZANINE IODIDE, Abminthic, Anelmid, Anguifugan, and more.

What is the CAS number of 3,3-Diethylthiadicarbocyanine iodide?

The CAS number of 3,3-Diethylthiadicarbocyanine iodide is 514-73-8.

What is the IUPAC name of 3,3-Diethylthiadicarbocyanine iodide?

The IUPAC name of 3,3-Diethylthiadicarbocyanine iodide is (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide.

What is the InChIKey of 3,3-Diethylthiadicarbocyanine iodide?

The InChIKey of 3,3-Diethylthiadicarbocyanine iodide is MNQDKWZEUULFPX-UHFFFAOYSA-M.

What is the hydrogen bond donor count of 3,3-Diethylthiadicarbocyanine iodide?

The hydrogen bond donor count of 3,3-Diethylthiadicarbocyanine iodide is 0.

What is the hydrogen bond acceptor count of 3,3-Diethylthiadicarbocyanine iodide?

The hydrogen bond acceptor count of 3,3-Diethylthiadicarbocyanine iodide is 4.