Benzyl sulfoxide
TL;DR: Benzyl sulfoxide (CAS 621-08-9) 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.
benzylsulfinylmethylbenzene
Also Known As: Dibenzyl sulfoxide, Benzyl sulfoxide, Dibenzylsulfoxide, Tardiol D, Dibenzyl sulphoxide
| Molecular Formula | C14H14OS |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.07654 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
| Vapor Pressure | 0.00000653 [mmHg] |
Chemical Identifiers
| CAS Number | 621-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 |
| InChIKey | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl sulfoxide (CAS 621-08-9), with molecular formula C14H14OS and molecular weight 230.08 g/mol. IUPAC: benzylsulfinylmethylbenzene.
Chemical Property Profile of Benzyl sulfoxide
Property Insights of Benzyl sulfoxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Benzyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl sulfoxide?
The CAS number of Benzyl sulfoxide is 621-08-9.
What is the molecular formula of Benzyl sulfoxide?
The molecular formula of Benzyl sulfoxide is C14H14OS.
What is the molecular weight of Benzyl sulfoxide?
The molecular weight of Benzyl sulfoxide is 230.08 g/mol.
Where can I buy Benzyl sulfoxide?
You can request a quote for Benzyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.