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Chemical structure of BETA-1

GC71192

BETA-1

Also known as 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-[4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]-N-phenylaniline iodide

BETA-1 is the first twisted intramolecular charge transfer (TICT)-aggregation-induced emission (AIE) integration molecule

ChemicalCAS2924598-24-1MW705.67FormulaC37H28IN3S2
CAS number
2924598-24-1
Molecular weight
705.67
Formula
C37H28IN3S2
Solubility
DMSO ： 25 mg/mL (35·43 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
WADRHSGMGWZVAT-LUINMZRLSA-M
Catalogue number
GC71192
Brand
GLPBIO
Computed properties PubChem CID 166642363 · TPSA 76.5 Ų · H-bond donors 0 · H-bond acceptors 5
TPSA
76.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
43

SMILES C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)/C=C/C6=NC7=CC=CC=C7S6.[I-]

Computed descriptors from PubChem (CID 166642363), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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