![[(2-Methylpropane-2-sulfonyl)methyl]benzene structure](/static/products/2028/20282-89-7.webp)
[(2-Methylpropane-2-sulfonyl)methyl]benzene
TL;DR: [(2-Methylpropane-2-sulfonyl)methyl]benzene (CAS 20282-89-7) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfonylmethylbenzene
Also Known As: tert-Butylbenzyl sulfone, BENZYL-tert-BUTYL SULFONE, tert-butylsulfonylmethylbenzene, [(tert-butylsulfonyl)methyl]benzene, KST-1A2946
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 20282-89-7 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | ZENYDXCNBNPHRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(2-Methylpropane-2-sulfonyl)methyl]benzene (CAS 20282-89-7), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: tert-butylsulfonylmethylbenzene.
Chemical Property Profile of [(2-Methylpropane-2-sulfonyl)methyl]benzene
Property Insights of [(2-Methylpropane-2-sulfonyl)methyl]benzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Methylpropane-2-sulfonyl)methyl]benzene. With a topological polar surface area (TPSA) of 42.5 Ų, [(2-Methylpropane-2-sulfonyl)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Methylpropane-2-sulfonyl)methyl]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 [(2-Methylpropane-2-sulfonyl)methyl]benzene?
The CAS number of [(2-Methylpropane-2-sulfonyl)methyl]benzene is 20282-89-7.
What is the molecular formula of [(2-Methylpropane-2-sulfonyl)methyl]benzene?
The molecular formula of [(2-Methylpropane-2-sulfonyl)methyl]benzene is C11H16O2S.
What is the molecular weight of [(2-Methylpropane-2-sulfonyl)methyl]benzene?
The molecular weight of [(2-Methylpropane-2-sulfonyl)methyl]benzene is 212.09 g/mol.
Where can I buy [(2-Methylpropane-2-sulfonyl)methyl]benzene?
You can request a quote for [(2-Methylpropane-2-sulfonyl)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Methylpropane-2-sulfonyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(2-Methylpropane-2-sulfonyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.