5,5''-Dibromo-2,2':5',2''-terthiophene
TL;DR: 5,5''-Dibromo-2,2':5',2''-terthiophene (CAS 98057-08-0) is a chemical compound with molecular formula C12H6Br2S3 and molecular weight 403.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(5-bromothiophen-2-yl)thiophene
Also Known As: 5,5''-Dibromo-2,2':5',2''-terthiophene, 2,5-bis(5-bromothiophen-2-yl)thiophene, 2,5-Bis(5-bromo-2-thienyl)thiophene, 5,5''-dibromo-[2,2':5',2"]terthiohene, 2,2':5',2''-Terthiophene, 5,5''-dibromo-
| Molecular Formula | C12H6Br2S3 |
|---|---|
| Molecular Weight | 403.80 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.79984 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 98057-08-0 |
|---|---|
| SMILES | C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)Br |
| InChIKey | KXFPYYJGYVYXIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5''-Dibromo-2,2':5',2''-terthiophene (CAS 98057-08-0), with molecular formula C12H6Br2S3 and molecular weight 403.80 g/mol. IUPAC: 2,5-bis(5-bromothiophen-2-yl)thiophene.
Chemical Property Profile of 5,5''-Dibromo-2,2':5',2''-terthiophene
Property Insights of 5,5''-Dibromo-2,2':5',2''-terthiophene
The XLogP value of 6.4 indicates that 5,5''-Dibromo-2,2':5',2''-terthiophene 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 5,5''-Dibromo-2,2':5',2''-terthiophene. Following Lipinski's Rule of Five, 5,5''-Dibromo-2,2':5',2''-terthiophene 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 5,5''-Dibromo-2,2':5',2''-terthiophene?
The CAS number of 5,5''-Dibromo-2,2':5',2''-terthiophene is 98057-08-0.
What is the molecular formula of 5,5''-Dibromo-2,2':5',2''-terthiophene?
The molecular formula of 5,5''-Dibromo-2,2':5',2''-terthiophene is C12H6Br2S3.
What is the molecular weight of 5,5''-Dibromo-2,2':5',2''-terthiophene?
The molecular weight of 5,5''-Dibromo-2,2':5',2''-terthiophene is 403.80 g/mol.
Where can I buy 5,5''-Dibromo-2,2':5',2''-terthiophene?
You can request a quote for 5,5''-Dibromo-2,2':5',2''-terthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5''-Dibromo-2,2':5',2''-terthiophene?
Yes, KEHONG BIO provides custom synthesis services for 5,5''-Dibromo-2,2':5',2''-terthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.