2,2':5',2''-Terthiophene, 5-iodo-
TL;DR: 2,2':5',2''-Terthiophene, 5-iodo- (CAS 104499-98-1) is a chemical compound with molecular formula C12H7IS3 and molecular weight 373.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Also Known As: 5-Iodo-alpha-terthienyl, .alpha.-T I deriv., 2,2':5',2''-Terthiophene, 5-iodo-, 5-Iodo-2,2':5',2''-terthiophene, 5-iodo-2,2':5',2
| Molecular Formula | C12H7IS3 |
|---|---|
| Molecular Weight | 373.88 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.87546 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 104499-98-1 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)I |
| InChIKey | HCEXAPWURQGOJI-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-iodo- (CAS 104499-98-1), with molecular formula C12H7IS3 and molecular weight 373.88 g/mol. IUPAC: 2-iodo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.
Chemical Property Profile of 2,2':5',2''-Terthiophene, 5-iodo-
Property Insights of 2,2':5',2''-Terthiophene, 5-iodo-
The XLogP value of 5.0 indicates that 2,2':5',2''-Terthiophene, 5-iodo- 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-iodo-. Following Lipinski's Rule of Five, 2,2':5',2''-Terthiophene, 5-iodo- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2':5',2''-Terthiophene, 5-iodo-?
The CAS number of 2,2':5',2''-Terthiophene, 5-iodo- is 104499-98-1.
What is the molecular formula of 2,2':5',2''-Terthiophene, 5-iodo-?
The molecular formula of 2,2':5',2''-Terthiophene, 5-iodo- is C12H7IS3.
What is the molecular weight of 2,2':5',2''-Terthiophene, 5-iodo-?
The molecular weight of 2,2':5',2''-Terthiophene, 5-iodo- is 373.88 g/mol.
Where can I buy 2,2':5',2''-Terthiophene, 5-iodo-?
You can request a quote for 2,2':5',2''-Terthiophene, 5-iodo- 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-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 2,2':5',2''-Terthiophene, 5-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.