Methylthiomethyl p-tolyl sulfone
TL;DR: Methylthiomethyl p-tolyl sulfone (CAS 59662-68-9) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(methylsulfanylmethylsulfonyl)benzene
Also Known As: Methylthiomethyl p-tolyl sulfone, Methyl(tosylmethyl)sulfane, MT-sulfone, Tosylmethylmethyl sulfide, MT-SULFONE 25GM
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 59662-68-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CSC |
| InChIKey | XAARLLNXZJTFPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylthiomethyl p-tolyl sulfone (CAS 59662-68-9), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 1-methyl-4-(methylsulfanylmethylsulfonyl)benzene.
Chemical Property Profile of Methylthiomethyl p-tolyl sulfone
Property Insights of Methylthiomethyl p-tolyl sulfone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiomethyl p-tolyl sulfone. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylthiomethyl p-tolyl sulfone. Following Lipinski's Rule of Five, Methylthiomethyl p-tolyl sulfone has 0 hydrogen bond donor(s) and 3 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 Methylthiomethyl p-tolyl sulfone?
The CAS number of Methylthiomethyl p-tolyl sulfone is 59662-68-9.
What is the molecular formula of Methylthiomethyl p-tolyl sulfone?
The molecular formula of Methylthiomethyl p-tolyl sulfone is C9H12O2S2.
What is the molecular weight of Methylthiomethyl p-tolyl sulfone?
The molecular weight of Methylthiomethyl p-tolyl sulfone is 216.03 g/mol.
Where can I buy Methylthiomethyl p-tolyl sulfone?
You can request a quote for Methylthiomethyl p-tolyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiomethyl p-tolyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Methylthiomethyl p-tolyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.