o-Tolyl sulfoxide
TL;DR: o-Tolyl sulfoxide (CAS 5097-05-2) is a chemical compound with molecular formula C14H14OS and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(2-methylphenyl)sulfinylbenzene
Also Known As: ditolylsulfoxide, o-Tolyl sulfoxide, Ditolyl sulfoxide, a-methylphenyl sulfoxide, Bis(o-tolyl) sulfoxide
| Molecular Formula | C14H14OS |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.07654 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5097-05-2 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)C2=CC=CC=C2C |
| InChIKey | CXBXYGOPEKWILU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Tolyl sulfoxide (CAS 5097-05-2), with molecular formula C14H14OS and molecular weight 230.08 g/mol. IUPAC: 1-methyl-2-(2-methylphenyl)sulfinylbenzene.
Chemical Property Profile of o-Tolyl sulfoxide
Property Insights of o-Tolyl sulfoxide
The XLogP value of 3.4 indicates that o-Tolyl sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, o-Tolyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Tolyl sulfoxide 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 o-Tolyl sulfoxide?
The CAS number of o-Tolyl sulfoxide is 5097-05-2.
What is the molecular formula of o-Tolyl sulfoxide?
The molecular formula of o-Tolyl sulfoxide is C14H14OS.
What is the molecular weight of o-Tolyl sulfoxide?
The molecular weight of o-Tolyl sulfoxide is 230.08 g/mol.
Where can I buy o-Tolyl sulfoxide?
You can request a quote for o-Tolyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for o-Tolyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.