2-Ethylthiophene
TL;DR: 2-Ethylthiophene (CAS 872-55-9) is a chemical compound with molecular formula C6H8S and molecular weight 112.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylthiophene
Also Known As: 2-ETHYLTHIOPHENE, o-Ethylthiophene, Histaminol, Thiophene, 2-ethyl-, 2-ethyl-thiophene
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8S |
| Molecular Weight | 112.03467 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.03467 Da |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
| Boiling Point | 133.00 °C. @ 760.00 mm Hg |
| Solubility | 0.292 mg/mL at 25 °C |
| SMILES | CCC1=CC=CS1 |
| InChIKey | JCCCMAAJYSNBPR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylthiophene
Property Insights of 2-Ethylthiophene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylthiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Ethylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylthiophene 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-Ethylthiophene?
The CAS number of 2-Ethylthiophene is 872-55-9.
What is the molecular formula of 2-Ethylthiophene?
The molecular formula of 2-Ethylthiophene is C6H8S.
What is the molecular weight of 2-Ethylthiophene?
The molecular weight of 2-Ethylthiophene is 112.03467 g/mol.
Where can I buy 2-Ethylthiophene?
You can request a quote for 2-Ethylthiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylthiophene?
Yes, CoreyChem provides custom synthesis services for 2-Ethylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.