2-Butyl-5-methylthiophene
TL;DR: 2-Butyl-5-methylthiophene (CAS 111730-29-1) is a chemical compound with molecular formula C9H14S and molecular weight 154.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-5-methylthiophene
Also Known As: 2-butyl-5-methylthiophene, 2-n-Butyl-5-methylthiophene, 2-butyl-5-methyl thiophene, 2-butyl-5-methyl-thiophene, ?2-Butyl-5-methylthiophene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14S |
| Molecular Weight | 154.08162 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.08162 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| SMILES | CCCCC1=CC=C(S1)C |
| InChIKey | GVCKDFUWZSZTLQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl-5-methylthiophene
Property Insights of 2-Butyl-5-methylthiophene
The XLogP value of 3.7 indicates that 2-Butyl-5-methylthiophene 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-Butyl-5-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-5-methylthiophene 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-Butyl-5-methylthiophene?
The CAS number of 2-Butyl-5-methylthiophene is 111730-29-1.
What is the molecular formula of 2-Butyl-5-methylthiophene?
The molecular formula of 2-Butyl-5-methylthiophene is C9H14S.
What is the molecular weight of 2-Butyl-5-methylthiophene?
The molecular weight of 2-Butyl-5-methylthiophene is 154.08162 g/mol.
Where can I buy 2-Butyl-5-methylthiophene?
You can request a quote for 2-Butyl-5-methylthiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyl-5-methylthiophene?
Yes, CoreyChem provides custom synthesis services for 2-Butyl-5-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.