2,2':5',2''-Terthiophene, 5,5''-diiodo-
TL;DR: 2,2':5',2''-Terthiophene, 5,5''-diiodo- (CAS 114046-35-4) is a chemical compound with molecular formula C12H6I2S3 and molecular weight 499.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(5-iodothiophen-2-yl)thiophene
Also Known As: 5,5''-Diiodo-2,2':5',2''-terthiophene, 2,5-bis(5-iodothiophen-2-yl)thiophene, 2,2':5',2''-Terthiophene, 5,5''-diiodo-, 2,5-bis(5-iodo-2-thienyl)thiophene, 2-iodo-5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophene
| Molecular Formula | C12H6I2S3 |
|---|---|
| Molecular Weight | 499.77 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 499.77213 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 114046-35-4 |
|---|---|
| SMILES | C1=C(SC(=C1)C2=CC=C(S2)I)C3=CC=C(S3)I |
| InChIKey | UBTCAGOSLSIKMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2':5',2''-Terthiophene, 5,5''-diiodo- (CAS 114046-35-4), with molecular formula C12H6I2S3 and molecular weight 499.77 g/mol. IUPAC: 2,5-bis(5-iodothiophen-2-yl)thiophene.
Chemical Property Profile of 2,2':5',2''-Terthiophene, 5,5''-diiodo-
Property Insights of 2,2':5',2''-Terthiophene, 5,5''-diiodo-
The XLogP value of 5.7 indicates that 2,2':5',2''-Terthiophene, 5,5''-diiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2':5',2''-Terthiophene, 5,5''-diiodo-. Following Lipinski's Rule of Five, 2,2':5',2''-Terthiophene, 5,5''-diiodo- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2':5',2''-Terthiophene, 5,5''-diiodo-?
The CAS number of 2,2':5',2''-Terthiophene, 5,5''-diiodo- is 114046-35-4.
What is the molecular formula of 2,2':5',2''-Terthiophene, 5,5''-diiodo-?
The molecular formula of 2,2':5',2''-Terthiophene, 5,5''-diiodo- is C12H6I2S3.
What is the molecular weight of 2,2':5',2''-Terthiophene, 5,5''-diiodo-?
The molecular weight of 2,2':5',2''-Terthiophene, 5,5''-diiodo- is 499.77 g/mol.
Where can I buy 2,2':5',2''-Terthiophene, 5,5''-diiodo-?
You can request a quote for 2,2':5',2''-Terthiophene, 5,5''-diiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2':5',2''-Terthiophene, 5,5''-diiodo-?
Yes, KEHONG BIO provides custom synthesis services for 2,2':5',2''-Terthiophene, 5,5''-diiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.