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Chemical structure of Dithiazanine iodide

GC76087

Dithiazanine iodide

Also known as (2E)-3-ethyl-2-[(2E,4Z)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide

Dithiazanine iodide is an effective broad-spectrum anthelmintic

ChemicalCAS514-73-8MW518.48FormulaC23H23IN2S2
CAS number
514-73-8
Molecular weight
518.48
Formula
C23H23IN2S2
Solubility
DMSO： 16·67 mg/mL (32·15 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MNQDKWZEUULFPX-UHFFFAOYSA-M
Catalogue number
GC76087
Brand
GLPBIO
Computed properties PubChem CID 5284545 · TPSA 60.7 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
60.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

SMILES CCN\1C2=CC=CC=C2S/C1=C/C=C/C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-]

Computed descriptors from PubChem (CID 5284545), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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