alpha-(Methylsulphonyl)toluene
TL;DR: alpha-(Methylsulphonyl)toluene (CAS 3112-90-1) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfonylmethylbenzene
Also Known As: Benzyl methyl sulfone, (methanesulfonylmethyl)benzene, ((Methylsulfonyl)methyl)benzene, Sulfone, benzyl methyl, Methyl benzyl sulfone
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 3112-90-1 |
|---|---|
| SMILES | CS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | BEARMXYKACECDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(Methylsulphonyl)toluene (CAS 3112-90-1), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: methylsulfonylmethylbenzene.
Chemical Property Profile of alpha-(Methylsulphonyl)toluene
Property Insights of alpha-(Methylsulphonyl)toluene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(Methylsulphonyl)toluene. With a topological polar surface area (TPSA) of 42.5 Ų, alpha-(Methylsulphonyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Methylsulphonyl)toluene 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 alpha-(Methylsulphonyl)toluene?
The CAS number of alpha-(Methylsulphonyl)toluene is 3112-90-1.
What is the molecular formula of alpha-(Methylsulphonyl)toluene?
The molecular formula of alpha-(Methylsulphonyl)toluene is C8H10O2S.
What is the molecular weight of alpha-(Methylsulphonyl)toluene?
The molecular weight of alpha-(Methylsulphonyl)toluene is 170.04 g/mol.
Where can I buy alpha-(Methylsulphonyl)toluene?
You can request a quote for alpha-(Methylsulphonyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Methylsulphonyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Methylsulphonyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.