p-Tolyl(p-bromobenzyl) sulfide
TL;DR: p-Tolyl(p-bromobenzyl) sulfide (CAS 100716-25-4) is a chemical compound with molecular formula C14H13BrS and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[(4-methylphenyl)sulfanylmethyl]benzene
Also Known As: (4-bromobenzyl)(p-tolyl)sulfane, p-Tolyl(p-bromobenzyl) sulfide, 4-bromobenzyl 4-methylphenyl sulfide, (4-Bromobenzyl)p-tolyl sulfide, 4-Bromobenzyl(4-methylphenyl) sulfide
| Molecular Formula | C14H13BrS |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 5.04982 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.99213 |
| Heavy Atoms | 16 |
| Complexity | 399.66647 |
Chemical Identifiers
| CAS Number | 100716-25-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC=C(C=C2)Br |
Product Overview
p-Tolyl(p-bromobenzyl) sulfide (CAS 100716-25-4), with molecular formula C14H13BrS and molecular weight 291.99 g/mol. IUPAC: 1-bromo-4-[(4-methylphenyl)sulfanylmethyl]benzene.
Chemical Property Profile of p-Tolyl(p-bromobenzyl) sulfide
Property Insights of p-Tolyl(p-bromobenzyl) sulfide
The XLogP value of 5.04982 indicates that p-Tolyl(p-bromobenzyl) 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, p-Tolyl(p-bromobenzyl) sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl(p-bromobenzyl) sulfide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Tolyl(p-bromobenzyl) sulfide?
The CAS number of p-Tolyl(p-bromobenzyl) sulfide is 100716-25-4.
What is the molecular formula of p-Tolyl(p-bromobenzyl) sulfide?
The molecular formula of p-Tolyl(p-bromobenzyl) sulfide is C14H13BrS.
What is the molecular weight of p-Tolyl(p-bromobenzyl) sulfide?
The molecular weight of p-Tolyl(p-bromobenzyl) sulfide is 291.99 g/mol.
Where can I buy p-Tolyl(p-bromobenzyl) sulfide?
You can request a quote for p-Tolyl(p-bromobenzyl) sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl(p-bromobenzyl) sulfide?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl(p-bromobenzyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.