1-Chloro-4-(phenylsulfinyl)benzene
TL;DR: 1-Chloro-4-(phenylsulfinyl)benzene (CAS 1016-82-6) is a chemical compound with molecular formula C12H9ClOS and molecular weight 236.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinyl)-4-chlorobenzene
Also Known As: 1-Chloro-4-(phenylsulfinyl)benzene, 1-(benzenesulfinyl)-4-chlorobenzene, 4-Chlorodiphenyl sulfoxide, Phenyl p-chlorophenyl sulfoxide, p-Chlorophenyl phenyl sulfoxide
| Molecular Formula | C12H9ClOS |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.00627 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1016-82-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)Cl |
| InChIKey | XRVFHWFVEIJJKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(phenylsulfinyl)benzene (CAS 1016-82-6), with molecular formula C12H9ClOS and molecular weight 236.01 g/mol. IUPAC: 1-(benzenesulfinyl)-4-chlorobenzene.
Chemical Property Profile of 1-Chloro-4-(phenylsulfinyl)benzene
Property Insights of 1-Chloro-4-(phenylsulfinyl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(phenylsulfinyl)benzene. With a topological polar surface area (TPSA) of 36.3 Ų, 1-Chloro-4-(phenylsulfinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(phenylsulfinyl)benzene 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 1-Chloro-4-(phenylsulfinyl)benzene?
The CAS number of 1-Chloro-4-(phenylsulfinyl)benzene is 1016-82-6.
What is the molecular formula of 1-Chloro-4-(phenylsulfinyl)benzene?
The molecular formula of 1-Chloro-4-(phenylsulfinyl)benzene is C12H9ClOS.
What is the molecular weight of 1-Chloro-4-(phenylsulfinyl)benzene?
The molecular weight of 1-Chloro-4-(phenylsulfinyl)benzene is 236.01 g/mol.
Where can I buy 1-Chloro-4-(phenylsulfinyl)benzene?
You can request a quote for 1-Chloro-4-(phenylsulfinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(phenylsulfinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(phenylsulfinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.