3-Bromothiophene
TL;DR: 3-Bromothiophene (CAS 872-31-1) is a chemical compound with molecular formula C4H3BrS and molecular weight 161.91388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromothiophene
Also Known As: 3-BROMOTHIOPHENE, 3-Thienyl bromide, Thiophene, 3-bromo-, 3-Bromothiofuran, beta-Bromothiophene
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H3BrS |
| Molecular Weight | 161.91388 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.91388 Da |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
| SMILES | C1=CSC=C1Br |
| InChIKey | XCMISAPCWHTVNG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromothiophene
Property Insights of 3-Bromothiophene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromothiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Bromothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromothiophene 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 3-Bromothiophene?
The CAS number of 3-Bromothiophene is 872-31-1.
What is the molecular formula of 3-Bromothiophene?
The molecular formula of 3-Bromothiophene is C4H3BrS.
What is the molecular weight of 3-Bromothiophene?
The molecular weight of 3-Bromothiophene is 161.91388 g/mol.
Where can I buy 3-Bromothiophene?
You can request a quote for 3-Bromothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromothiophene?
Yes, CoreyChem provides custom synthesis services for 3-Bromothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.