2-Heptylthiophene
TL;DR: 2-Heptylthiophene (CAS 18794-78-0) is a chemical compound with molecular formula C11H18S and molecular weight 182.11292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-heptylthiophene
Also Known As: 2-Heptylthiophene, Thiophene, 2-heptyl-, Heptyl thiol, 2-n-Heptylthiophene, 2-(N-HEPTYL)THIOPHENE
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H18S |
| Molecular Weight | 182.11292 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.11292 Da |
| Heavy Atoms | 12 |
| Complexity | 101.0 |
| SMILES | CCCCCCCC1=CC=CS1 |
| InChIKey | FGGZOCMVJAJPMH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Heptylthiophene
Property Insights of 2-Heptylthiophene
The XLogP value of 5.0 indicates that 2-Heptylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Heptylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptylthiophene 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
What is the CAS number of 2-Heptylthiophene?
The CAS number of 2-Heptylthiophene is 18794-78-0.
What is the molecular formula of 2-Heptylthiophene?
The molecular formula of 2-Heptylthiophene is C11H18S.
What is the molecular weight of 2-Heptylthiophene?
The molecular weight of 2-Heptylthiophene is 182.11292 g/mol.
Where can I buy 2-Heptylthiophene?
You can request a quote for 2-Heptylthiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Heptylthiophene?
Yes, CoreyChem provides custom synthesis services for 2-Heptylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.