p-Fluorotoluene-alpha-thiol
TL;DR: p-Fluorotoluene-alpha-thiol (CAS 15894-04-9) is a chemical compound with molecular formula C7H7FS and molecular weight 142.02525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-fluorophenyl)methanethiol
Also Known As: 4-Fluorobenzyl mercaptan, (4-Fluorophenyl)methanethiol, 4-fluorobenzylmercaptan, 4-fluorobenzylthiol, 4-Fluoro benzyl mercaptan
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7FS |
| Molecular Weight | 142.02525 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02525 Da |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| SMILES | C1=CC(=CC=C1CS)F |
| InChIKey | RKTRHMNWVZRZJQ-UHFFFAOYSA-N |
Chemical Property Profile of p-Fluorotoluene-alpha-thiol
Property Insights of p-Fluorotoluene-alpha-thiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Fluorotoluene-alpha-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, p-Fluorotoluene-alpha-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Fluorotoluene-alpha-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Fluorotoluene-alpha-thiol?
The CAS number of p-Fluorotoluene-alpha-thiol is 15894-04-9.
What is the molecular formula of p-Fluorotoluene-alpha-thiol?
The molecular formula of p-Fluorotoluene-alpha-thiol is C7H7FS.
What is the molecular weight of p-Fluorotoluene-alpha-thiol?
The molecular weight of p-Fluorotoluene-alpha-thiol is 142.02525 g/mol.
Where can I buy p-Fluorotoluene-alpha-thiol?
You can request a quote for p-Fluorotoluene-alpha-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Fluorotoluene-alpha-thiol?
Yes, CoreyChem provides custom synthesis services for p-Fluorotoluene-alpha-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.