(((2-Chloroethyl)sulfonyl)methyl)benzene
TL;DR: (((2-Chloroethyl)sulfonyl)methyl)benzene (CAS 66998-67-2) is a chemical compound with molecular formula C9H11ClO2S and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethylsulfonylmethylbenzene
Also Known As: Benzyl 2-chloroethyl sulfone, [(2-chloroethanesulfonyl)methyl]benzene, 2-chloroethylsulfonylmethylbenzene, 2-benzylsulfonylethyl chloride, (((2-Chloroethyl)sulfonyl)methyl)benzene
| Molecular Formula | C9H11ClO2S |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.01683 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 66998-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCCl |
| InChIKey | CKNUUVURUUCDGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(((2-Chloroethyl)sulfonyl)methyl)benzene (CAS 66998-67-2), with molecular formula C9H11ClO2S and molecular weight 218.02 g/mol. IUPAC: 2-chloroethylsulfonylmethylbenzene.
Chemical Property Profile of (((2-Chloroethyl)sulfonyl)methyl)benzene
Property Insights of (((2-Chloroethyl)sulfonyl)methyl)benzene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((2-Chloroethyl)sulfonyl)methyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, (((2-Chloroethyl)sulfonyl)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((2-Chloroethyl)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-Chloroethyl)sulfonyl)methyl)benzene?
The CAS number of (((2-Chloroethyl)sulfonyl)methyl)benzene is 66998-67-2.
What is the molecular formula of (((2-Chloroethyl)sulfonyl)methyl)benzene?
The molecular formula of (((2-Chloroethyl)sulfonyl)methyl)benzene is C9H11ClO2S.
What is the molecular weight of (((2-Chloroethyl)sulfonyl)methyl)benzene?
The molecular weight of (((2-Chloroethyl)sulfonyl)methyl)benzene is 218.02 g/mol.
Where can I buy (((2-Chloroethyl)sulfonyl)methyl)benzene?
You can request a quote for (((2-Chloroethyl)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-Chloroethyl)sulfonyl)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (((2-Chloroethyl)sulfonyl)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.