Sulfide, p-bromophenyl chloromethyl
TL;DR: Sulfide, p-bromophenyl chloromethyl (CAS 5344-30-9) is a chemical compound with molecular formula C7H6BrClS and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(chloromethylsulfanyl)benzene
Also Known As: p-Bromophenyl chloromethyl sulfide, Sulfide, p-bromophenyl chloromethyl, (4-bromophenyl)(chloromethyl)sulfane, 1-bromo-4-[(chloromethyl)sulfanyl]benzene, p-Bromophenyl(chloromethyl) sulfide
| Molecular Formula | C7H6BrClS |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.9062 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 5344-30-9 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCl)Br |
| InChIKey | BKWAYMAOVGORCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfide, p-bromophenyl chloromethyl (CAS 5344-30-9), with molecular formula C7H6BrClS and molecular weight 235.91 g/mol. IUPAC: 1-bromo-4-(chloromethylsulfanyl)benzene.
Chemical Property Profile of Sulfide, p-bromophenyl chloromethyl
Property Insights of Sulfide, p-bromophenyl chloromethyl
The XLogP value of 3.8 indicates that Sulfide, p-bromophenyl chloromethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Sulfide, p-bromophenyl chloromethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfide, p-bromophenyl chloromethyl 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
Frequently Asked Questions
What is the CAS number of Sulfide, p-bromophenyl chloromethyl?
The CAS number of Sulfide, p-bromophenyl chloromethyl is 5344-30-9.
What is the molecular formula of Sulfide, p-bromophenyl chloromethyl?
The molecular formula of Sulfide, p-bromophenyl chloromethyl is C7H6BrClS.
What is the molecular weight of Sulfide, p-bromophenyl chloromethyl?
The molecular weight of Sulfide, p-bromophenyl chloromethyl is 235.91 g/mol.
Where can I buy Sulfide, p-bromophenyl chloromethyl?
You can request a quote for Sulfide, p-bromophenyl chloromethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, p-bromophenyl chloromethyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, p-bromophenyl chloromethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.