Products for Research Use Only
RegisterLogin

TBTDC

CAT: 0013-GTR19219386-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19219386-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
TBTDC is an organic photosensitizer with aggregation-induced emission (AIE), making it ideal for photodynamic therapy research and bioimaging. Its properties facilitate both in vitro cellular studies and in vivo tumor imaging applications, as supported by published research.
CAS Number
2866214-44-8
Field of Research
Cell Biology
Smiles
N#CC=1SC (N=CC=2SC (=CC2) C3=CC=C (C=4C=CC (=CC4) N (C=5C=CC=CC5) C=6C=CC=CC6) C7=NSN=C73) =C (C#N) C1C
Molecular Formula
C36H22N6S3
Molecular Weight
634.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tbtdc
CAS Number2866214-44-8
PubChem CID162679300
IUPAC Name3-methyl-5-[(E)-[5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]methylideneamino]thiophene-2,4-dicarbonitrile
Molecular FormulaC36H22N6S3
Molecular Weight634.8
XLogP9.8
Topological Polar Surface Area174
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
CC1=C(SC(=C1C#N)/N=C/C2=CC=C(S2)C3=CC=C(C4=NSN=C34)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C#N
InChI
InChI=1S/C36H22N6S3/c1-23-31(20-37)36(44-33(23)21-38)39-22-28-16-19-32(43-28)30-18-17-29(34-35(30)41-45-40-34)24-12-14-27(15-13-24)42(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-19,22H,1H3/b39-22+
InChIKey
KJLSQPPZBSVZJS-WVKHYPTHSA-N
Chemical Structure
2D Structure
2D structure of Tbtdc
CAS: 2866214-44-8
CID: 162679300
Formula: C36H22N6S3
MW: 634.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.8
XLogP39.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass634.10680825
Monoisotopic Mass634.10680825
Topological Polar Surface Area174 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19199587-01TBTC

Alternative Products

CatalogName
T81028-01TBTDC

Popular Products