Thiophene, 2-butyl-5-ethenyl
TL;DR: Thiophene, 2-butyl-5-ethenyl (CAS 113591-60-9) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-ethenylthiophene
Also Known As: 2-butyl-5-ethenylthiophene, Thiophene, 2-butyl-5-ethenyl, 2-Butyl-5-vinylthiophene, Thiophene, 2-butyl-5-ethenyl-, Thiophene,2-butyl-5-ethenyl
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 113591-60-9 |
|---|---|
| SMILES | CCCCC1=CC=C(S1)C=C |
| InChIKey | JKFTXICJYSTDFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene, 2-butyl-5-ethenyl (CAS 113591-60-9), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 2-butyl-5-ethenylthiophene.
Chemical Property Profile of Thiophene, 2-butyl-5-ethenyl
Property Insights of Thiophene, 2-butyl-5-ethenyl
The XLogP value of 4.1 indicates that Thiophene, 2-butyl-5-ethenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Thiophene, 2-butyl-5-ethenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2-butyl-5-ethenyl has 0 hydrogen bond donor(s) and 1 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 Thiophene, 2-butyl-5-ethenyl?
The CAS number of Thiophene, 2-butyl-5-ethenyl is 113591-60-9.
What is the molecular formula of Thiophene, 2-butyl-5-ethenyl?
The molecular formula of Thiophene, 2-butyl-5-ethenyl is C10H14S.
What is the molecular weight of Thiophene, 2-butyl-5-ethenyl?
The molecular weight of Thiophene, 2-butyl-5-ethenyl is 166.08 g/mol.
Where can I buy Thiophene, 2-butyl-5-ethenyl?
You can request a quote for Thiophene, 2-butyl-5-ethenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2-butyl-5-ethenyl?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2-butyl-5-ethenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.