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BETA-1

CAT: 0931-T82894-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82894-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2924598-24-1
Target
Others
Related Pathways
Others
Bioactivity
BETA-1, a twisted intramolecular charge transfer (TICT) -aggregation-induced emission (AIE) integration molecule, exhibits cyan fluorescence in lipid droplets (LDs) and red fluorescence in mitochondria, facilitating the dual-color imaging of these organelles both in vivo and in vitro [1].
Smiles
N(C1=CC=C(/C=C/C=2SC=3C([N+]2C)=CC=CC3)C=C1)(C4=CC=C(/C=C/C5=NC=6C(S5)=CC=CC6)C=C4)C7=CC=CC=C7.[I-]
Molecular Formula
C37H28IN3S2
Molecular Weight
705.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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
CAS Number2924598-24-1
PubChem CID166642363
IUPAC Name4-[(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
Molecular FormulaC37H28IN3S2
Molecular Weight705.7
Topological Polar Surface Area76.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity901
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-]
InChI
InChI=1S/C37H28N3S2.HI/c1-39-33-12-6-8-14-35(33)42-37(39)26-20-28-17-23-31(24-18-28)40(29-9-3-2-4-10-29)30-21-15-27(16-22-30)19-25-36-38-32-11-5-7-13-34(32)41-36;/h2-26H,1H3;1H/q+1;/p-1/b25-19+;
InChIKey
WADRHSGMGWZVAT-LUINMZRLSA-M
Chemical Structure
2D Structure
2D structure of 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
CAS: 2924598-24-1
CID: 166642363
Formula: C37H28IN3S2
MW: 705.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight705.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass705.07694
Monoisotopic Mass705.07694
Topological Polar Surface Area76.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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