Sulphenone
TL;DR: Sulphenone (CAS 80-00-2) is a chemical compound with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-chlorobenzene
Also Known As: 4-Chlorophenyl phenyl sulfone, Sulfenone, Trifenson, Sulfenon, 4-Chlorodiphenyl sulfone
| Molecular Formula | C12H9ClO2S |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.00117 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| Melting Point | 98 °C |
| Solubility | At 20 °C acetone (74.4 g/100mL), toluene (44.4 g/100mL), dioxane (65.6 g/100mL), isopropanol (21 g/100mL), hexane 0.4 g/100mL), xylene (18.2 g/100mL), carbon tetrachloride (4.9 g/100mL); slightly soluble in pet ether. |
| Vapor Pressure | 0.0000039 [mmHg] |
Chemical Identifiers
| CAS Number | 80-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | OFCFYWOKHPOXKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulphenone (CAS 80-00-2), with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol. IUPAC: 1-(benzenesulfonyl)-4-chlorobenzene.
Chemical Property Profile of Sulphenone
Property Insights of Sulphenone
The XLogP value of 3.1 indicates that Sulphenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Sulphenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulphenone 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 Sulphenone?
The CAS number of Sulphenone is 80-00-2.
What is the molecular formula of Sulphenone?
The molecular formula of Sulphenone is C12H9ClO2S.
What is the molecular weight of Sulphenone?
The molecular weight of Sulphenone is 252.00 g/mol.
Where can I buy Sulphenone?
You can request a quote for Sulphenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulphenone?
Yes, KEHONG BIO provides custom synthesis services for Sulphenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.