Benzyl 4-bromophenyl sulfide
TL;DR: Benzyl 4-bromophenyl sulfide (CAS 53136-21-3) is a chemical compound with molecular formula C13H11BrS and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-4-bromobenzene
Also Known As: 1-Benzylthio-4-bromobenzene, BENZYL 4-BROMOPHENYL SULFIDE, Benzyl(4-bromophenyl)sulfane, 1-benzylsulfanyl-4-bromobenzene, 1-(benzylsulfanyl)-4-bromobenzene
| Molecular Formula | C13H11BrS |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 4.7414 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.97647 |
| Heavy Atoms | 15 |
| Complexity | 408.3109 |
Chemical Identifiers
| CAS Number | 53136-21-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C=C2)Br |
Product Overview
Benzyl 4-bromophenyl sulfide (CAS 53136-21-3), with molecular formula C13H11BrS and molecular weight 277.98 g/mol. IUPAC: 1-benzylsulfanyl-4-bromobenzene.
Chemical Property Profile of Benzyl 4-bromophenyl sulfide
Property Insights of Benzyl 4-bromophenyl sulfide
The XLogP value of 4.7414 indicates that Benzyl 4-bromophenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyl 4-bromophenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-bromophenyl sulfide 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 Benzyl 4-bromophenyl sulfide?
The CAS number of Benzyl 4-bromophenyl sulfide is 53136-21-3.
What is the molecular formula of Benzyl 4-bromophenyl sulfide?
The molecular formula of Benzyl 4-bromophenyl sulfide is C13H11BrS.
What is the molecular weight of Benzyl 4-bromophenyl sulfide?
The molecular weight of Benzyl 4-bromophenyl sulfide is 277.98 g/mol.
Where can I buy Benzyl 4-bromophenyl sulfide?
You can request a quote for Benzyl 4-bromophenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-bromophenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-bromophenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.