Methyl phenyl sulfone
TL;DR: Methyl phenyl sulfone (CAS 3112-85-4) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfonylbenzene
Also Known As: METHYL PHENYL SULFONE, (Methylsulfonyl)benzene, methylsulfonylbenzene, Benzene, (methylsulfonyl)-, Phenyl methyl sulfone
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 3112-85-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | JCDWETOKTFWTHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenyl sulfone (CAS 3112-85-4), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: methylsulfonylbenzene.
Chemical Property Profile of Methyl phenyl sulfone
Property Insights of Methyl phenyl sulfone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Methyl phenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenyl sulfone 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 Methyl phenyl sulfone?
The CAS number of Methyl phenyl sulfone is 3112-85-4.
What is the molecular formula of Methyl phenyl sulfone?
The molecular formula of Methyl phenyl sulfone is C7H8O2S.
What is the molecular weight of Methyl phenyl sulfone?
The molecular weight of Methyl phenyl sulfone is 156.02 g/mol.
Where can I buy Methyl phenyl sulfone?
You can request a quote for Methyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.