2,2':5',2''-Terthiophene, 5,5''-dimethyl-
TL;DR: 2,2':5',2''-Terthiophene, 5,5''-dimethyl- (CAS 59949-61-0) is a chemical compound with molecular formula C14H12S3 and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(5-methylthiophen-2-yl)thiophene
Also Known As: 5,5''-Dimethyl-alpha-terthienyl, 2,5-bis(5-methylthiophen-2-yl)thiophene, 2,2':5',2''-Terthiophene, 5,5''-dimethyl-, 5-methyl-5'-(5-methylthiophen-2-yl)-2,2'-bithiophene, 1~5~,3~5~-Dimethyl-1~2~,2~2~:2~5~,3~2~-terthiophene
| Molecular Formula | C14H12S3 |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0101 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 59949-61-0 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C |
| InChIKey | UCLXUPRIAJUZED-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''-dimethyl- (CAS 59949-61-0), with molecular formula C14H12S3 and molecular weight 276.01 g/mol. IUPAC: 2,5-bis(5-methylthiophen-2-yl)thiophene.
Chemical Property Profile of 2,2':5',2''-Terthiophene, 5,5''-dimethyl-
Property Insights of 2,2':5',2''-Terthiophene, 5,5''-dimethyl-
The XLogP value of 5.2 indicates that 2,2':5',2''-Terthiophene, 5,5''-dimethyl- 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''-dimethyl-. Following Lipinski's Rule of Five, 2,2':5',2''-Terthiophene, 5,5''-dimethyl- 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''-dimethyl-?
The CAS number of 2,2':5',2''-Terthiophene, 5,5''-dimethyl- is 59949-61-0.
What is the molecular formula of 2,2':5',2''-Terthiophene, 5,5''-dimethyl-?
The molecular formula of 2,2':5',2''-Terthiophene, 5,5''-dimethyl- is C14H12S3.
What is the molecular weight of 2,2':5',2''-Terthiophene, 5,5''-dimethyl-?
The molecular weight of 2,2':5',2''-Terthiophene, 5,5''-dimethyl- is 276.01 g/mol.
Where can I buy 2,2':5',2''-Terthiophene, 5,5''-dimethyl-?
You can request a quote for 2,2':5',2''-Terthiophene, 5,5''-dimethyl- 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''-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,2':5',2''-Terthiophene, 5,5''-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.