4-Chlorobenzyl phenyl sulfide
TL;DR: 4-Chlorobenzyl phenyl sulfide (CAS 7693-30-3) is a chemical compound with molecular formula C13H11ClS and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(phenylsulfanylmethyl)benzene
Also Known As: 4-chlorobenzyl phenyl sulfide, (4-Chlorobenzyl)(phenyl)sulfane, 1-chloro-4-(phenylsulfanylmethyl)benzene, Phenyl 4-chlorobenzyl sulfide, [(4-chlorophenyl)methylthio]benzene
| Molecular Formula | C13H11ClS |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 4.6323 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.027 |
| Heavy Atoms | 15 |
| Complexity | 408.3109 |
Chemical Identifiers
| CAS Number | 7693-30-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl phenyl sulfide (CAS 7693-30-3), with molecular formula C13H11ClS and molecular weight 234.03 g/mol. IUPAC: 1-chloro-4-(phenylsulfanylmethyl)benzene.
Chemical Property Profile of 4-Chlorobenzyl phenyl sulfide
Property Insights of 4-Chlorobenzyl phenyl sulfide
The XLogP value of 4.6323 indicates that 4-Chlorobenzyl phenyl 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, 4-Chlorobenzyl phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl phenyl 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 4-Chlorobenzyl phenyl sulfide?
The CAS number of 4-Chlorobenzyl phenyl sulfide is 7693-30-3.
What is the molecular formula of 4-Chlorobenzyl phenyl sulfide?
The molecular formula of 4-Chlorobenzyl phenyl sulfide is C13H11ClS.
What is the molecular weight of 4-Chlorobenzyl phenyl sulfide?
The molecular weight of 4-Chlorobenzyl phenyl sulfide is 234.03 g/mol.
Where can I buy 4-Chlorobenzyl phenyl sulfide?
You can request a quote for 4-Chlorobenzyl phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.