p-Tolyl sulfoxide
TL;DR: p-Tolyl sulfoxide (CAS 1774-35-2) 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-4-(4-methylphenyl)sulfinylbenzene
Also Known As: p-Tolyl sulfoxide, Ditolyl sulfoxide, Di-p-tolyl sulfoxide, Sulfoxide, ditolyl, Ditolyl sulphoxide
| 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 | 211.0 |
Chemical Identifiers
| CAS Number | 1774-35-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C |
| InChIKey | MJWNJEJCQHNDNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyl sulfoxide (CAS 1774-35-2), with molecular formula C14H14OS and molecular weight 230.08 g/mol. IUPAC: 1-methyl-4-(4-methylphenyl)sulfinylbenzene.
Chemical Property Profile of p-Tolyl sulfoxide
Property Insights of p-Tolyl sulfoxide
The XLogP value of 3.4 indicates that p-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, p-Tolyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-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 p-Tolyl sulfoxide?
The CAS number of p-Tolyl sulfoxide is 1774-35-2.
What is the molecular formula of p-Tolyl sulfoxide?
The molecular formula of p-Tolyl sulfoxide is C14H14OS.
What is the molecular weight of p-Tolyl sulfoxide?
The molecular weight of p-Tolyl sulfoxide is 230.08 g/mol.
Where can I buy p-Tolyl sulfoxide?
You can request a quote for p-Tolyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.