![2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone structure](/static/products/129/129691-56-1.png)
2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone (CAS 129691-56-1) is a chemical compound with molecular formula C15H13ClOS and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-1-phenylethanone
Also Known As: 2-[(4-chlorobenzyl)sulfanyl]-1-phenylethanone, 2-[(4-chlorophenyl)methylsulfanyl]-1-phenylethanone, AA-516/12432482, 2-[(4-chlorophenyl)methylthio]-1-phenylethan-1-one
| Molecular Formula | C15H13ClOS |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 4.4561 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.03757 |
| Heavy Atoms | 18 |
| Complexity | 507.77664 |
Chemical Identifiers
| CAS Number | 129691-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSCC2=CC=C(C=C2)Cl |
Product Overview
2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone (CAS 129691-56-1), with molecular formula C15H13ClOS and molecular weight 276.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone
The XLogP value of 4.4561 indicates that 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 2 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 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone?
The CAS number of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone is 129691-56-1.
What is the molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone is C15H13ClOS.
What is the molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone is 276.04 g/mol.
Where can I buy 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobenzyl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.