2-Allylthiophene
TL;DR: 2-Allylthiophene (CAS 20849-87-0) is a chemical compound with molecular formula C7H8S and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylthiophene
Also Known As: 2-allylthiophene, allylthiophene, 2-Allyithiophene, 2-prop-2-enylthiophene, 2-allenylthiophene
| Molecular Formula | C7H8S |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.03467 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 20849-87-0 |
|---|---|
| SMILES | C=CCC1=CC=CS1 |
| InChIKey | CAJILKYXPOWWBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Allylthiophene (CAS 20849-87-0), with molecular formula C7H8S and molecular weight 124.03 g/mol. IUPAC: 2-prop-2-enylthiophene.
Chemical Property Profile of 2-Allylthiophene
Property Insights of 2-Allylthiophene
The XLogP value of 3.1 indicates that 2-Allylthiophene 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-Allylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allylthiophene 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-Allylthiophene?
The CAS number of 2-Allylthiophene is 20849-87-0.
What is the molecular formula of 2-Allylthiophene?
The molecular formula of 2-Allylthiophene is C7H8S.
What is the molecular weight of 2-Allylthiophene?
The molecular weight of 2-Allylthiophene is 124.03 g/mol.
Where can I buy 2-Allylthiophene?
You can request a quote for 2-Allylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Allylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.