2-Hexylthiophene
TL;DR: 2-Hexylthiophene (CAS 18794-77-9) is a chemical compound with molecular formula C10H16S and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylthiophene
Also Known As: 2-Hexylthiophene, 2-n-Hexylthiophene, Thiophene, 2-hexyl-, 2-hexyl-thiophene, Hexylthiophene
| Molecular Formula | C10H16S |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.09727 |
| Heavy Atoms | 11 |
| Complexity | 90.0 |
| Melting Point | 41.00 °C. @ 760.00 mm Hg |
| Boiling Point | 229.00 to 230.00 °C. @ 760.00 mm Hg |
| Density | 0.930-0.938 (20°) |
| Solubility | Soluble in most organic solvents; Insoluble in water |
| Refractive Index | 1.492-1.498 |
Chemical Identifiers
| CAS Number | 18794-77-9 |
|---|---|
| SMILES | CCCCCCC1=CC=CS1 |
| InChIKey | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexylthiophene (CAS 18794-77-9), with molecular formula C10H16S and molecular weight 168.10 g/mol. IUPAC: 2-hexylthiophene.
Chemical Property Profile of 2-Hexylthiophene
Property Insights of 2-Hexylthiophene
The XLogP value of 4.4 indicates that 2-Hexylthiophene 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-Hexylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylthiophene 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 2-Hexylthiophene?
The CAS number of 2-Hexylthiophene is 18794-77-9.
What is the molecular formula of 2-Hexylthiophene?
The molecular formula of 2-Hexylthiophene is C10H16S.
What is the molecular weight of 2-Hexylthiophene?
The molecular weight of 2-Hexylthiophene is 168.10 g/mol.
Where can I buy 2-Hexylthiophene?
You can request a quote for 2-Hexylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.