alpha-(Methylsulphinyl)toluene
TL;DR: alpha-(Methylsulphinyl)toluene (CAS 824-86-2) is a chemical compound with molecular formula C8H10OS and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfinylmethylbenzene
Also Known As: Benzyl methyl sulfoxide, Methyl benzyl sulfoxide, benzylmethylsulfoxide, methylsulfinylmethylbenzene, (methanesulfinylmethyl)benzene
| Molecular Formula | C8H10OS |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 824-86-2 |
|---|---|
| SMILES | CS(=O)CC1=CC=CC=C1 |
| InChIKey | LISVNGUOWUKZQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(Methylsulphinyl)toluene (CAS 824-86-2), with molecular formula C8H10OS and molecular weight 154.05 g/mol. IUPAC: methylsulfinylmethylbenzene.
Chemical Property Profile of alpha-(Methylsulphinyl)toluene
Property Insights of alpha-(Methylsulphinyl)toluene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(Methylsulphinyl)toluene. With a topological polar surface area (TPSA) of 36.3 Ų, alpha-(Methylsulphinyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Methylsulphinyl)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-(Methylsulphinyl)toluene?
The CAS number of alpha-(Methylsulphinyl)toluene is 824-86-2.
What is the molecular formula of alpha-(Methylsulphinyl)toluene?
The molecular formula of alpha-(Methylsulphinyl)toluene is C8H10OS.
What is the molecular weight of alpha-(Methylsulphinyl)toluene?
The molecular weight of alpha-(Methylsulphinyl)toluene is 154.05 g/mol.
Where can I buy alpha-(Methylsulphinyl)toluene?
You can request a quote for alpha-(Methylsulphinyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Methylsulphinyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Methylsulphinyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.