2-((4-Chlorophenyl)thio)-1-phenylethanone
TL;DR: 2-((4-Chlorophenyl)thio)-1-phenylethanone (CAS 30168-33-3) is a chemical compound with molecular formula C14H11ClOS and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-phenylethanone
Also Known As: ethanone, 2-[(4-chlorophenyl)thio]-1-phenyl-, 2-(4-Chlorophenylthio)acetophenone, 2-Acetyl-4'-chlorodiphenyl sulfide, 2-[(4-chlorophenyl)thio]-1-phenylethanone, 2-(4-chlorophenyl)sulfanyl-1-phenylethanone
| Molecular Formula | C14H11ClOS |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0219 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 30168-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)Cl |
| InChIKey | KVOQYEBYGPHYNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Chlorophenyl)thio)-1-phenylethanone (CAS 30168-33-3), with molecular formula C14H11ClOS and molecular weight 262.02 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-((4-Chlorophenyl)thio)-1-phenylethanone
Property Insights of 2-((4-Chlorophenyl)thio)-1-phenylethanone
The XLogP value of 4.5 indicates that 2-((4-Chlorophenyl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-((4-Chlorophenyl)thio)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)thio)-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-Chlorophenyl)thio)-1-phenylethanone?
The CAS number of 2-((4-Chlorophenyl)thio)-1-phenylethanone is 30168-33-3.
What is the molecular formula of 2-((4-Chlorophenyl)thio)-1-phenylethanone?
The molecular formula of 2-((4-Chlorophenyl)thio)-1-phenylethanone is C14H11ClOS.
What is the molecular weight of 2-((4-Chlorophenyl)thio)-1-phenylethanone?
The molecular weight of 2-((4-Chlorophenyl)thio)-1-phenylethanone is 262.02 g/mol.
Where can I buy 2-((4-Chlorophenyl)thio)-1-phenylethanone?
You can request a quote for 2-((4-Chlorophenyl)thio)-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-Chlorophenyl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.