2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene
TL;DR: 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene (CAS 16900-51-9) is a chemical compound with molecular formula C12H6S2 and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-thiophen-2-ylbuta-1,3-diynyl)thiophene
Also Known As: 1,4-di(2-thienyl)butadiyne, 2-(4-thiophen-2-ylbuta-1,3-diynyl)thiophene, MEGxp0_001544, Thiophene, 2,2'-butadiynylenedi-, ACon0_000003
| Molecular Formula | C12H6S2 |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.99109 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 16900-51-9 |
|---|---|
| SMILES | C1=CSC(=C1)C#CC#CC2=CC=CS2 |
| InChIKey | RMTLWKDMYIJGQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene (CAS 16900-51-9), with molecular formula C12H6S2 and molecular weight 213.99 g/mol. IUPAC: 2-(4-thiophen-2-ylbuta-1,3-diynyl)thiophene.
Chemical Property Profile of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene
Property Insights of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene
The XLogP value of 3.8 indicates that 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene has 0 hydrogen bond donor(s) and 2 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-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene?
The CAS number of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene is 16900-51-9.
What is the molecular formula of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene?
The molecular formula of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene is C12H6S2.
What is the molecular weight of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene?
The molecular weight of 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene is 213.99 g/mol.
Where can I buy 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene?
You can request a quote for 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Thiophen-2-ylbuta-1,3-diynyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.