((1-Methylethyl)sulfonyl)benzene
TL;DR: ((1-Methylethyl)sulfonyl)benzene (CAS 4238-09-9) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylsulfonylbenzene
Also Known As: Phenyl isopropyl sulfone, (propane-2-sulfonyl)benzene, isopropylsulfonylbenzene, Isopropylphenylsulfone, ISOPROPYLPHENYL SULFONE
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 4238-09-9 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | IJTSQCOXRMHSCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((1-Methylethyl)sulfonyl)benzene (CAS 4238-09-9), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: propan-2-ylsulfonylbenzene.
Chemical Property Profile of ((1-Methylethyl)sulfonyl)benzene
Property Insights of ((1-Methylethyl)sulfonyl)benzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1-Methylethyl)sulfonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, ((1-Methylethyl)sulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1-Methylethyl)sulfonyl)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-Methylethyl)sulfonyl)benzene?
The CAS number of ((1-Methylethyl)sulfonyl)benzene is 4238-09-9.
What is the molecular formula of ((1-Methylethyl)sulfonyl)benzene?
The molecular formula of ((1-Methylethyl)sulfonyl)benzene is C9H12O2S.
What is the molecular weight of ((1-Methylethyl)sulfonyl)benzene?
The molecular weight of ((1-Methylethyl)sulfonyl)benzene is 184.06 g/mol.
Where can I buy ((1-Methylethyl)sulfonyl)benzene?
You can request a quote for ((1-Methylethyl)sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1-Methylethyl)sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((1-Methylethyl)sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.