4-Bromothiophenol
TL;DR: 4-Bromothiophenol (CAS 106-53-6) is a chemical compound with molecular formula C6H5BrS and molecular weight 187.92953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromobenzenethiol
Also Known As: 4-Bromothiophenol, 4-Bromobenzenethiol, p-Bromothiophenol, p-Bromobenzenethiol, Benzenethiol, 4-bromo-
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5BrS |
| Molecular Weight | 187.92953 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.92953 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| SMILES | C1=CC(=CC=C1S)Br |
| InChIKey | FTBCOQFMQSTCQQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromothiophenol
Property Insights of 4-Bromothiophenol
The XLogP value of 3.2 indicates that 4-Bromothiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 4-Bromothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromothiophenol has 1 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 4-Bromothiophenol?
The CAS number of 4-Bromothiophenol is 106-53-6.
What is the molecular formula of 4-Bromothiophenol?
The molecular formula of 4-Bromothiophenol is C6H5BrS.
What is the molecular weight of 4-Bromothiophenol?
The molecular weight of 4-Bromothiophenol is 187.92953 g/mol.
Where can I buy 4-Bromothiophenol?
You can request a quote for 4-Bromothiophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromothiophenol?
Yes, CoreyChem provides custom synthesis services for 4-Bromothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.