(4-Bromo-2-fluorophenyl)methanethiol
TL;DR: (4-Bromo-2-fluorophenyl)methanethiol (CAS 886498-29-9) is a chemical compound with molecular formula C7H6BrFS and molecular weight 219.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-fluorophenyl)methanethiol
Also Known As: 4-Bromo-2-fluorobenzyl mercaptan, (4-bromo-2-fluorophenyl)methanethiol, 4-Bromo-2-fluorobenzylmercaptan, (4-bromo-2-fluoro-phenyl)methanethiol, 4-(Trans-4-n-Pentylcyclohexyl)Phenol
| Molecular Formula | C7H6BrFS |
|---|---|
| Molecular Weight | 219.94 g/mol |
| LogP | 3.018 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.93576 |
| Heavy Atoms | 10 |
| Complexity | 237.04776 |
Chemical Identifiers
| CAS Number | 886498-29-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)F)CS |
Product Overview
(4-Bromo-2-fluorophenyl)methanethiol (CAS 886498-29-9), with molecular formula C7H6BrFS and molecular weight 219.94 g/mol. IUPAC: (4-bromo-2-fluorophenyl)methanethiol.
Chemical Property Profile of (4-Bromo-2-fluorophenyl)methanethiol
Property Insights of (4-Bromo-2-fluorophenyl)methanethiol
The XLogP value of 3.018 indicates that (4-Bromo-2-fluorophenyl)methanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (4-Bromo-2-fluorophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-fluorophenyl)methanethiol 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
Frequently Asked Questions
What is the CAS number of (4-Bromo-2-fluorophenyl)methanethiol?
The CAS number of (4-Bromo-2-fluorophenyl)methanethiol is 886498-29-9.
What is the molecular formula of (4-Bromo-2-fluorophenyl)methanethiol?
The molecular formula of (4-Bromo-2-fluorophenyl)methanethiol is C7H6BrFS.
What is the molecular weight of (4-Bromo-2-fluorophenyl)methanethiol?
The molecular weight of (4-Bromo-2-fluorophenyl)methanethiol is 219.94 g/mol.
Where can I buy (4-Bromo-2-fluorophenyl)methanethiol?
You can request a quote for (4-Bromo-2-fluorophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-2-fluorophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-fluorophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.